5,6-O-(1-Carboxyethylide...
C9H14O8
5,6-O-(1-Carboxyethylide...
C9H14O8
Molecular Mass 250.203 g·mol−1 Heat of Formation -1465.8 ± 16.7 kJ·mol−1 Dipole Moment 2.54 ± 1.08 D Volume 268.05 Å 3 4,6-O-[(1r)-1-Carboxyeth...
C9H14O8
4,6-O-[(1r)-1-Carboxyeth...
C9H14O8
Molecular Mass 250.203 g·mol−1 Heat of Formation -1439.8 ± 16.7 kJ·mol−1 Dipole Moment 1.53 ± 1.08 D Volume 265.01 Å 3 4,6-O-[(1r)-1-Carboxyeth...
C9H14O8
4,6-O-[(1r)-1-Carboxyeth...
C9H14O8
Molecular Mass 250.203 g·mol−1 Heat of Formation -1478.0 ± 16.7 kJ·mol−1 Dipole Moment 2.71 ± 1.08 D Volume 260.68 Å 3 4,6-O-[(1s)-1-Carboxyeth...
C9H14O8
4,6-O-[(1s)-1-Carboxyeth...
C9H14O8
Molecular Mass 250.203 g·mol−1 Heat of Formation -1449.3 ± 16.7 kJ·mol−1 Dipole Moment 1.62 ± 1.08 D Volume 259.04 Å 3 3,4-O-[(1s)-1-Carboxyeth...
C9H14O8
3,4-O-[(1s)-1-Carboxyeth...
C9H14O8
Molecular Mass 250.203 g·mol−1 Heat of Formation -1477.1 ± 16.7 kJ·mol−1 Dipole Moment 3.22 ± 1.08 D Volume 261.32 Å 3 3,4-O-[(1r)-1-Carboxyeth...
C9H14O8
3,4-O-[(1r)-1-Carboxyeth...
C9H14O8
Molecular Mass 250.203 g·mol−1 Heat of Formation -1447.8 ± 16.7 kJ·mol−1 Dipole Moment 1.25 ± 1.08 D Volume 269.64 Å 3 4-O-{4,6-O-[(1s)-1-Carbo...
C15H22O14
4-O-{4,6-O-[(1s)-1-Carbo...
C15H22O14
Molecular Mass 426.327 g·mol−1 Heat of Formation -2498.5 ± 16.7 kJ·mol−1 Dipole Moment 4.92 ± 1.08 D Volume 440.24 Å 3 (2s,4ar,5as,7r,7ar,7br,8...
C37H38O11
(2s,4ar,5as,7r,7ar,7br,8...
C37H38O11
Molecular Mass 674.818 g·mol−1 Heat of Formation -1981.2 ± 16.7 kJ·mol−1 Dipole Moment 4.44 ± 1.08 D Volume 806.59 Å 3 (6r)-5-Acetamido-3,5-Did...
C23H39NO22S
(6r)-5-Acetamido-3,5-Did...
C23H39NO22S
Molecular Mass 713.614 g·mol−1 Heat of Formation -4053.1 ± 16.7 kJ·mol−1 Dipole Moment 5.94 ± 1.08 D Volume 745.84 Å 3 (6r)-5-Acetamido-3,5-Did...
C23H39NO22S
(6r)-5-Acetamido-3,5-Did...
C23H39NO22S
Molecular Mass 713.614 g·mol−1 Heat of Formation -1516.8 ± 16.7 kJ·mol−1 Dipole Moment 7.56 ± 1.08 D Volume 641.74 Å 3 (6r)-3-Deoxy-6-[(1r)-2-(...
C30H50NO29P
(6r)-3-Deoxy-6-[(1r)-2-(...
C30H50NO29P
Molecular Mass 919.681 g·mol−1 Heat of Formation -5738.4 ± 16.7 kJ·mol−1 Dipole Moment 4.81 ± 1.08 D Volume 947.25 Å 3 1,4-Dioxaspiro[4.4]non-2...
C25H19ClNO6
1,4-Dioxaspiro[4.4]non-2...
C25H19ClNO6
Molecular Mass 475.962 g·mol−1 Heat of Formation 3420.1 ± 16.7 kJ·mol−1 Dipole Moment 6.17 ± 1.08 D Volume 458.99 Å 3 (8as,9s)-9-{[3-(dimethyl...
C26H20N2O7
(8as,9s)-9-{[3-(dimethyl...
C26H20N2O7
Molecular Mass 484.541 g·mol−1 Heat of Formation 2523.6 ± 16.7 kJ·mol−1 Dipole Moment 12.23 ± 1.08 D Volume 517.43 Å 3 2-(anilinomethyl)-6,7,8-...
C15H12N3O4
2-(anilinomethyl)-6,7,8-...
C15H12N3O4
Molecular Mass 306.337 g·mol−1 Heat of Formation 1139.2 ± 16.7 kJ·mol−1 Dipole Moment 6.87 ± 1.08 D Volume 337.0 Å 3 (3's,3as,4's,5s,6's,11bs...
C20H31NO11
(3's,3as,4's,5s,6's,11bs...
C20H31NO11
Molecular Mass 585.599 g·mol−1 Heat of Formation -1821.3 ± 16.7 kJ·mol−1 Dipole Moment 1.22 ± 1.08 D Volume 656.9 Å 3 Methyl Hex-1-Enofuranosi...
C7H10O6
Methyl Hex-1-Enofuranosi...
C7H10O6
Molecular Mass 190.151 g·mol−1 Heat of Formation -907.3 ± 16.7 kJ·mol−1 Dipole Moment 4.23 ± 1.08 D Volume 208.93 Å 3 Fostamatinib
C23H26FN6O9P
Fostamatinib
C23H26FN6O9P
Molecular Mass 580.460 g·mol−1 Heat of Formation -1638.1 ± 16.7 kJ·mol−1 Dipole Moment 3.41 ± 1.08 D Volume 617.73 Å 3 Olmesartan Medoxomil
C22H19N6O6
Olmesartan Medoxomil
C22H19N6O6
Molecular Mass 558.585 g·mol−1 Heat of Formation -486.8 ± 16.7 kJ·mol−1 Dipole Moment 9.67 ± 1.08 D Volume 651.04 Å 3 Pramiconazole
C29H51F2N7O4
Pramiconazole
C29H51F2N7O4
Molecular Mass 659.725 g·mol−1 Heat of Formation -526.8 ± 16.7 kJ·mol−1 Dipole Moment 6.71 ± 1.08 D Volume 762.32 Å 3 (2,2-Dimethyl-1,3-Dioxol...
C10H13NO4
(2,2-Dimethyl-1,3-Dioxol...
C10H13NO4
Molecular Mass 211.215 g·mol−1 Heat of Formation -554.7 ± 16.7 kJ·mol−1 Dipole Moment 2.11 ± 1.08 D Volume 260.38 Å 3 N-{[(1r,13s)-12-Cyano-7,...
C29H22N5O7
N-{[(1r,13s)-12-Cyano-7,...
C29H22N5O7
Molecular Mass 563.602 g·mol−1 Heat of Formation 2460.9 ± 16.7 kJ·mol−1 Dipole Moment 2.95 ± 1.08 D Volume 572.21 Å 3 5-{4-[(6r,6as,7s)-3-Amin...
C31H23N6O16P
5-{4-[(6r,6as,7s)-3-Amin...
C31H23N6O16P
Molecular Mass 788.693 g·mol−1 Heat of Formation 1601.3 ± 16.7 kJ·mol−1 Dipole Moment 7.04 ± 1.08 D Volume 741.64 Å 3 Saframycin Yd1
C30H28N5O7
Saframycin Yd1
C30H28N5O7
Molecular Mass 577.628 g·mol−1 Heat of Formation 2665.5 ± 16.7 kJ·mol−1 Dipole Moment 3.97 ± 1.08 D Volume 604.33 Å 3 6-O-Acetyl-3-O-(4-C-Acet...
C29H26N2O16S
6-O-Acetyl-3-O-(4-C-Acet...
C29H26N2O16S
Molecular Mass 700.665 g·mol−1 Heat of Formation 517.4 ± 16.7 kJ·mol−1 Dipole Moment 6.28 ± 1.08 D Volume 654.93 Å 3 N-{[(1r,2s,10r,12r,13r,1...
C29H21N4O9
N-{[(1r,2s,10r,12r,13r,1...
C29H21N4O9
Molecular Mass 578.570 g·mol−1 Heat of Formation -1012.3 ± 16.7 kJ·mol−1 Dipole Moment 4.16 ± 1.08 D Volume 650.01 Å 3 2,4(1h,3h)-Pyrimidinedio...
C16H10N5O10
2,4(1h,3h)-Pyrimidinedio...
C16H10N5O10
Molecular Mass 443.365 g·mol−1 Heat of Formation 706.4 ± 16.7 kJ·mol−1 Dipole Moment 3.72 ± 1.08 D Volume 424.08 Å 3 1,2,3,4-Tetra-O-Acetyl-5...
C25H13N4O10
1,2,3,4-Tetra-O-Acetyl-5...
C25H13N4O10
Molecular Mass 544.511 g·mol−1 Heat of Formation -1706.2 ± 16.7 kJ·mol−1 Dipole Moment 6.53 ± 1.08 D Volume 607.45 Å 3 2-Sec-Butyl-4-{4-[4-(4-{...
C22H12F2N8O4
2-Sec-Butyl-4-{4-[4-(4-{...
C22H12F2N8O4
Molecular Mass 672.724 g·mol−1 Heat of Formation -430.0 ± 16.7 kJ·mol−1 Dipole Moment 4.38 ± 1.08 D Volume 774.7 Å 3 3-Ethoxy-5,10-Dihydroxy-...
C17H18O7
3-Ethoxy-5,10-Dihydroxy-...
C17H18O7
Molecular Mass 334.321 g·mol−1 Heat of Formation -1020.2 ± 16.7 kJ·mol−1 Dipole Moment 6.70 ± 1.08 D Volume 365.15 Å 3 3-Hydroxy-13-{[(2z)-3-Hy...
C32H23N2O11
3-Hydroxy-13-{[(2z)-3-Hy...
C32H23N2O11
Molecular Mass 618.587 g·mol−1 Heat of Formation 1726.8 ± 16.7 kJ·mol−1 Dipole Moment 6.63 ± 1.08 D Volume 603.84 Å 3 [(1r,2r,6r,10s,11r,13s,1...
C23H39IO9
[(1r,2r,6r,10s,11r,13s,1...
C23H39IO9
Molecular Mass 754.605 g·mol−1 Heat of Formation -1218.9 ± 16.7 kJ·mol−1 Dipole Moment 6.26 ± 1.08 D Volume 773.16 Å 3 6-Bromo-5-(methylamino)-...
C22H18BrN3O6
6-Bromo-5-(methylamino)-...
C22H18BrN3O6
Molecular Mass 602.517 g·mol−1 Heat of Formation -925.8 ± 16.7 kJ·mol−1 Dipole Moment 4.20 ± 1.08 D Volume 657.68 Å 3 2-Methoxy-2,4-Diphenyl-3...
C17H14O3
2-Methoxy-2,4-Diphenyl-3...
C17H14O3
Molecular Mass 266.291 g·mol−1 Heat of Formation -182.2 ± 16.7 kJ·mol−1 Dipole Moment 3.45 ± 1.08 D Volume 315.54 Å 3 1-Ethyl-6-Fluoro-7-{4-[(...
C21H32FN3O7++
1-Ethyl-6-Fluoro-7-{4-[(...
C21H32FN3O7++
Molecular Mass 447.414 g·mol−1 Heat of Formation 2214.3 ± 16.7 kJ·mol−1 Dipole Moment 9.12 ± 1.08 D Volume 464.38 Å 3 N-[(2-Chloroethyl)(nitro...
C18H21ClN4O9
N-[(2-Chloroethyl)(nitro...
C18H21ClN4O9
Molecular Mass 472.834 g·mol−1 Heat of Formation -1094.5 ± 16.7 kJ·mol−1 Dipole Moment 3.64 ± 1.08 D Volume 497.9 Å 3 (5z)-4-Methoxy-3-Methyl-...
C19H25NO5
(5z)-4-Methoxy-3-Methyl-...
C19H25NO5
Molecular Mass 347.406 g·mol−1 Heat of Formation -604.5 ± 16.7 kJ·mol−1 Dipole Moment 7.87 ± 1.08 D Volume 399.13 Å 3 1-{[2-(1-Hydroxyethyl)-1...
C22H31NO10
1-{[2-(1-Hydroxyethyl)-1...
C22H31NO10
Molecular Mass 469.482 g·mol−1 Heat of Formation 1929.6 ± 16.7 kJ·mol−1 Dipole Moment 8.46 ± 1.08 D Volume 473.27 Å 3 (2s)-5-Hydroxy-6,8-Dimet...
C29H34O13
(2s)-5-Hydroxy-6,8-Dimet...
C29H34O13
Molecular Mass 590.572 g·mol−1 Heat of Formation -2348.2 ± 16.7 kJ·mol−1 Dipole Moment 3.20 ± 1.08 D Volume 653.68 Å 3 3-Cyano-N-[(2s)-2-(3,4-D...
C36H37Cl2N3O3S
3-Cyano-N-[(2s)-2-(3,4-D...
C36H37Cl2N3O3S
Molecular Mass 662.668 g·mol−1 Heat of Formation -122.6 ± 16.7 kJ·mol−1 Dipole Moment 10.06 ± 1.08 D Volume 781.61 Å 3 5-(methylamino)-2-({(2s,...
C29H25N3O6
5-(methylamino)-2-({(2s,...
C29H25N3O6
Molecular Mass 523.621 g·mol−1 Heat of Formation -932.9 ± 16.7 kJ·mol−1 Dipole Moment 3.60 ± 1.08 D Volume 629.53 Å 3 Cytochalasin E
C28H33NO7
Cytochalasin E
C28H33NO7
Molecular Mass 495.564 g·mol−1 Heat of Formation -985.7 ± 16.7 kJ·mol−1 Dipole Moment 3.39 ± 1.08 D Volume 587.6 Å 3 1,1-Diethoxyethene
C6H12O2
1,1-Diethoxyethene
C6H12O2
Molecular Mass 116.158 g·mol−1 Heat of Formation -350.6 ± 16.7 kJ·mol−1 Dipole Moment 2.58 ± 1.08 D Volume 161.02 Å 3 (1r,11s,12s,13r,21r,22s,...
C51H31N2O22+
(1r,11s,12s,13r,21r,22s,...
C51H31N2O22+
Molecular Mass 1068.141 g·mol−1 Heat of Formation 2599.8 ± 16.7 kJ·mol−1 Dipole Moment 5.57 ± 1.08 D Volume 994.24 Å 3 7-[4-(2-Hydroxyphenyl)-2...
C19H26O5
7-[4-(2-Hydroxyphenyl)-2...
C19H26O5
Molecular Mass 334.407 g·mol−1 Heat of Formation -926.7 ± 16.7 kJ·mol−1 Dipole Moment 1.52 ± 1.08 D Volume 421.35 Å 3 (5z)-7-[4-(2-Hydroxyphen...
C19H26O5
(5z)-7-[4-(2-Hydroxyphen...
C19H26O5
Molecular Mass 334.407 g·mol−1 Heat of Formation -930.7 ± 16.7 kJ·mol−1 Dipole Moment 1.75 ± 1.08 D Volume 415.83 Å 3 2'-Deoxy-N-(5,6-Dihydro-...
C27H17N6O8
2'-Deoxy-N-(5,6-Dihydro-...
C27H17N6O8
Molecular Mass 558.499 g·mol−1 Heat of Formation -681.3 ± 16.7 kJ·mol−1 Dipole Moment 12.90 ± 1.08 D Volume 589.16 Å 3 (2r,4r)-2-Allyloxy-6-[(1...
C11H16O7
(2r,4r)-2-Allyloxy-6-[(1...
C11H16O7
Molecular Mass 260.241 g·mol−1 Heat of Formation -1182.8 ± 16.7 kJ·mol−1 Dipole Moment 2.02 ± 1.08 D Volume 298.56 Å 3 (3beta,5beta,14beta,20r)...
C27H15NO6
(3beta,5beta,14beta,20r)...
C27H15NO6
Molecular Mass 481.665 g·mol−1 Heat of Formation -1405.8 ± 16.7 kJ·mol−1 Dipole Moment 2.37 ± 1.08 D Volume 604.24 Å 3 2-Oxo-2-{[(9e,19e,21z)-2...
C49H65N3O15
2-Oxo-2-{[(9e,19e,21z)-2...
C49H65N3O15
Molecular Mass 936.052 g·mol−1 Heat of Formation -2362.1 ± 16.7 kJ·mol−1 Dipole Moment 4.78 ± 1.08 D Volume 1109.05 Å 3 Methyl (2s)-4-(3,4-Dihyd...
C27H14N2O9
Methyl (2s)-4-(3,4-Dihyd...
C27H14N2O9
Molecular Mass 528.551 g·mol−1 Heat of Formation 1925.8 ± 16.7 kJ·mol−1 Dipole Moment 7.41 ± 1.08 D Volume 547.45 Å 3 1-Phenylethyl 2,6-Dimeth...
C23H17N3O4S
1-Phenylethyl 2,6-Dimeth...
C23H17N3O4S
Molecular Mass 435.496 g·mol−1 Heat of Formation 3030.8 ± 16.7 kJ·mol−1 Dipole Moment 2.95 ± 1.08 D Volume 445.6 Å 3 2-[3-(9-Chloro-3-Methyl-...
C28H22ClN3O6
2-[3-(9-Chloro-3-Methyl-...
C28H22ClN3O6
Molecular Mass 533.960 g·mol−1 Heat of Formation -493.6 ± 16.7 kJ·mol−1 Dipole Moment 1.87 ± 1.08 D Volume 593.4 Å 3 2-[(2-O-Benzoyl-Beta-D-G...
C27H6O12
2-[(2-O-Benzoyl-Beta-D-G...
C27H6O12
Molecular Mass 544.504 g·mol−1 Heat of Formation 1131.9 ± 16.7 kJ·mol−1 Dipole Moment 5.80 ± 1.08 D Volume 512.2 Å 3 (3s)-2-(7-Chloro-1,8-Nap...
C23H28ClN4O4
(3s)-2-(7-Chloro-1,8-Nap...
C23H28ClN4O4
Molecular Mass 478.928 g·mol−1 Heat of Formation -319.6 ± 16.7 kJ·mol−1 Dipole Moment 9.07 ± 1.08 D Volume 529.94 Å 3 (2s)-2-[(2s,4s)-2-Ethyl-...
C17H22N2O2S
(2s)-2-[(2s,4s)-2-Ethyl-...
C17H22N2O2S
Molecular Mass 318.434 g·mol−1 Heat of Formation -162.9 ± 16.7 kJ·mol−1 Dipole Moment 5.97 ± 1.08 D Volume 382.86 Å 3 Methyl (4r,5r,6s,7r,10r)...
C10H13BrO6
Methyl (4r,5r,6s,7r,10r)...
C10H13BrO6
Molecular Mass 309.111 g·mol−1 Heat of Formation -942.4 ± 16.7 kJ·mol−1 Dipole Moment 2.13 ± 1.08 D Volume 281.09 Å 3 Asparagamine A
C22H27NO5
Asparagamine A
C22H27NO5
Molecular Mass 385.453 g·mol−1 Heat of Formation -569.1 ± 16.7 kJ·mol−1 Dipole Moment 6.55 ± 1.08 D Volume 451.02 Å 3 (3s,3as,5r,9r,9ar)-5-Hyd...
C35H36NO12+
(3s,3as,5r,9r,9ar)-5-Hyd...
C35H36NO12+
Molecular Mass 662.660 g·mol−1 Heat of Formation -1590.0 ± 16.7 kJ·mol−1 Dipole Moment 24.02 ± 1.08 D Volume 737.33 Å 3 2-Amino-1,3-Propanediyl ...
C79H123N15O32
2-Amino-1,3-Propanediyl ...
C79H123N15O32
Molecular Mass 1794.903 g·mol−1 Heat of Formation 6804.9 ± 16.7 kJ·mol−1 Dipole Moment 12.66 ± 1.08 D Volume 1794.96 Å 3 (3beta,16alpha,17beta)-1...
C33H14NO7
(3beta,16alpha,17beta)-1...
C33H14NO7
Molecular Mass 577.792 g·mol−1 Heat of Formation 3137.9 ± 16.7 kJ·mol−1 Dipole Moment 5.83 ± 1.08 D Volume 589.36 Å 3 1-O-(4-Diazonio-3-Iodobe...
C19H25IN2O12
1-O-(4-Diazonio-3-Iodobe...
C19H25IN2O12
Molecular Mass 599.305 g·mol−1 Heat of Formation 130.2 ± 16.7 kJ·mol−1 Dipole Moment 11.89 ± 1.08 D Volume 488.53 Å 3 Aplysiatoxin
C32H41BrO10
Aplysiatoxin
C32H41BrO10
Molecular Mass 671.614 g·mol−1 Heat of Formation -2065.2 ± 16.7 kJ·mol−1 Dipole Moment 2.95 ± 1.08 D Volume 754.61 Å 3 (2s,3r)-4,6-Diamino-2-({...
C23H11N5O14
(2s,3r)-4,6-Diamino-2-({...
C23H11N5O14
Molecular Mass 615.629 g·mol−1 Heat of Formation 523.1 ± 16.7 kJ·mol−1 Dipole Moment 7.63 ± 1.08 D Volume 551.04 Å 3 (2s)-4-(3,4-Dihydro-2h-B...
C26H30N2O9
(2s)-4-(3,4-Dihydro-2h-B...
C26H30N2O9
Molecular Mass 514.524 g·mol−1 Heat of Formation -1214.6 ± 16.7 kJ·mol−1 Dipole Moment 9.43 ± 1.08 D Volume 590.07 Å 3 (1as,5r,6r,9ar)-6-{[2,6-...
C35H35NO12
(1as,5r,6r,9ar)-6-{[2,6-...
C35H35NO12
Molecular Mass 661.652 g·mol−1 Heat of Formation -1274.6 ± 16.7 kJ·mol−1 Dipole Moment 10.24 ± 1.08 D Volume 752.98 Å 3 7b,8,9-Trihydroxy-2,10-D...
C23H27NO8
7b,8,9-Trihydroxy-2,10-D...
C23H27NO8
Molecular Mass 441.431 g·mol−1 Heat of Formation 1769.4 ± 16.7 kJ·mol−1 Dipole Moment 5.73 ± 1.08 D Volume 424.66 Å 3 [(1s,4s,5r,6r,9r,10r,12r...
C34H24O7
[(1s,4s,5r,6r,9r,10r,12r...
C34H24O7
Molecular Mass 556.645 g·mol−1 Heat of Formation 3820.4 ± 16.7 kJ·mol−1 Dipole Moment 10.32 ± 1.08 D Volume 562.74 Å 3 Alpha-D-Fructofuranosyl ...
C19H8O14
Alpha-D-Fructofuranosyl ...
C19H8O14
Molecular Mass 518.465 g·mol−1 Heat of Formation -2425.8 ± 16.7 kJ·mol−1 Dipole Moment 3.62 ± 1.08 D Volume 572.07 Å 3 (3e)-3-{(2e,4e,6r)-1-Hyd...
C22H27NO7
(3e)-3-{(2e,4e,6r)-1-Hyd...
C22H27NO7
Molecular Mass 417.452 g·mol−1 Heat of Formation -1034.3 ± 16.7 kJ·mol−1 Dipole Moment 3.68 ± 1.08 D Volume 485.67 Å 3 Tirandamycin A
C22H27NO7
Tirandamycin A
C22H27NO7
Molecular Mass 417.452 g·mol−1 Heat of Formation -1036.5 ± 16.7 kJ·mol−1 Dipole Moment 3.11 ± 1.08 D Volume 484.9 Å 3 Tirandamycin A
C22H27NO7
Tirandamycin A
C22H27NO7
Molecular Mass 417.452 g·mol−1 Heat of Formation -1038.9 ± 16.7 kJ·mol−1 Dipole Moment 3.75 ± 1.08 D Volume 488.51 Å 3 (3e)-3-{(2e,4e,6r)-1-Hyd...
C22H27NO7
(3e)-3-{(2e,4e,6r)-1-Hyd...
C22H27NO7
Molecular Mass 417.452 g·mol−1 Heat of Formation -1034.3 ± 16.7 kJ·mol−1 Dipole Moment 2.68 ± 1.08 D Volume 482.3 Å 3 (2xi)-5,6-Dideoxy-1,2-O-...
C9H14O4
(2xi)-5,6-Dideoxy-1,2-O-...
C9H14O4
Molecular Mass 186.205 g·mol−1 Heat of Formation -699.9 ± 16.7 kJ·mol−1 Dipole Moment 2.53 ± 1.08 D Volume 222.23 Å 3 Ketoconazole
C26H28Cl2N4O4
Ketoconazole
C26H28Cl2N4O4
Molecular Mass 531.431 g·mol−1 Heat of Formation 1310.1 ± 16.7 kJ·mol−1 Dipole Moment 12.45 ± 1.08 D Volume 581.34 Å 3 1-[4-(4-{[(2s,4r)-2-(2,4...
C26H28Cl2N4O4
1-[4-(4-{[(2s,4r)-2-(2,4...
C26H28Cl2N4O4
Molecular Mass 531.431 g·mol−1 Heat of Formation 1318.5 ± 16.7 kJ·mol−1 Dipole Moment 12.39 ± 1.08 D Volume 583.67 Å 3 (1r,4s,7r,8r)-4-Hydroxy-...
C12H17NO5
(1r,4s,7r,8r)-4-Hydroxy-...
C12H17NO5
Molecular Mass 255.267 g·mol−1 Heat of Formation -925.6 ± 16.7 kJ·mol−1 Dipole Moment 5.17 ± 1.08 D Volume 292.39 Å 3 1,4-Dioxaspiro[4.4]non-2...
C25H30ClNO6
1,4-Dioxaspiro[4.4]non-2...
C25H30ClNO6
Molecular Mass 475.962 g·mol−1 Heat of Formation -1075.0 ± 16.7 kJ·mol−1 Dipole Moment 6.75 ± 1.08 D Volume 553.18 Å 3 4-Tert-Butyl-1-(4-Isothi...
C16H19NO3S
4-Tert-Butyl-1-(4-Isothi...
C16H19NO3S
Molecular Mass 305.392 g·mol−1 Heat of Formation -335.3 ± 16.7 kJ·mol−1 Dipole Moment 7.81 ± 1.08 D Volume 357.5 Å 3 (5z)-5-[(1s,4r)-9-(4-Hyd...
C22H29NO6
(5z)-5-[(1s,4r)-9-(4-Hyd...
C22H29NO6
Molecular Mass 403.469 g·mol−1 Heat of Formation -830.5 ± 16.7 kJ·mol−1 Dipole Moment 8.34 ± 1.08 D Volume 470.24 Å 3 (1r,2ar,4ar,6ar,10s,12ar...
C28H40O9
(1r,2ar,4ar,6ar,10s,12ar...
C28H40O9
Molecular Mass 520.612 g·mol−1 Heat of Formation -1627.1 ± 16.7 kJ·mol−1 Dipole Moment 4.03 ± 1.08 D Volume 613.23 Å 3 Paniculatumoside A
C28H40O9
Paniculatumoside A
C28H40O9
Molecular Mass 520.612 g·mol−1 Heat of Formation -1659.0 ± 16.7 kJ·mol−1 Dipole Moment 3.64 ± 1.08 D Volume 609.04 Å 3 6-Chloro-6-Deoxy-1,2-O-I...
C9H15ClO5
6-Chloro-6-Deoxy-1,2-O-I...
C9H15ClO5
Molecular Mass 238.665 g·mol−1 Heat of Formation -1017.1 ± 16.7 kJ·mol−1 Dipole Moment 5.39 ± 1.08 D Volume 258.04 Å 3 Methyl {5-[2-(4-Fluoroph...
C18H16FN3O4
Methyl {5-[2-(4-Fluoroph...
C18H16FN3O4
Molecular Mass 357.336 g·mol−1 Heat of Formation -529.3 ± 16.7 kJ·mol−1 Dipole Moment 5.92 ± 1.08 D Volume 393.86 Å 3 (5z)-4-Methoxy-5-[(1s,4r...
C23H31NO6
(5z)-4-Methoxy-5-[(1s,4r...
C23H31NO6
Molecular Mass 417.495 g·mol−1 Heat of Formation -813.9 ± 16.7 kJ·mol−1 Dipole Moment 8.20 ± 1.08 D Volume 492.72 Å 3 (6r)-5-Acetamido-3,5-Did...
C23H12NO22S
(6r)-5-Acetamido-3,5-Did...
C23H12NO22S
Molecular Mass 713.614 g·mol−1 Heat of Formation -1516.8 ± 16.7 kJ·mol−1 Dipole Moment 7.56 ± 1.08 D Volume 641.74 Å 3 7-(2,2-Dimethyl-4-Phenyl...
C19H26O4
7-(2,2-Dimethyl-4-Phenyl...
C19H26O4
Molecular Mass 318.407 g·mol−1 Heat of Formation -737.6 ± 16.7 kJ·mol−1 Dipole Moment 1.45 ± 1.08 D Volume 410.69 Å 3 (5z)-7-[(4s,5r)-2,2-Dime...
C19H26O4
(5z)-7-[(4s,5r)-2,2-Dime...
C19H26O4
Molecular Mass 318.407 g·mol−1 Heat of Formation -740.0 ± 16.7 kJ·mol−1 Dipole Moment 1.56 ± 1.08 D Volume 407.43 Å 3 (1e)-1-Propen-1-Yl (6s)-...
C12H20O8
(1e)-1-Propen-1-Yl (6s)-...
C12H20O8
Molecular Mass 292.282 g·mol−1 Heat of Formation -1432.6 ± 16.7 kJ·mol−1 Dipole Moment 3.13 ± 1.08 D Volume 336.82 Å 3 (5z)-4-Methoxy-3-Methyl-...
C23H29NO7
(5z)-4-Methoxy-3-Methyl-...
C23H29NO7
Molecular Mass 431.479 g·mol−1 Heat of Formation -1044.6 ± 16.7 kJ·mol−1 Dipole Moment 6.86 ± 1.08 D Volume 493.24 Å 3 4'-(benzoyloxy)-3a,4-Dih...
C21H24O9
4'-(benzoyloxy)-3a,4-Dih...
C21H24O9
Molecular Mass 420.410 g·mol−1 Heat of Formation -1572.6 ± 16.7 kJ·mol−1 Dipole Moment 4.51 ± 1.08 D Volume 469.84 Å 3 14-Chloro-5,15-Dihydroxy...
C25H29ClO10
14-Chloro-5,15-Dihydroxy...
C25H29ClO10
Molecular Mass 562.993 g·mol−1 Heat of Formation -1730.4 ± 16.7 kJ·mol−1 Dipole Moment 6.60 ± 1.08 D Volume 577.08 Å 3 Nocamycin I
C26H33NO9
Nocamycin I
C26H33NO9
Molecular Mass 503.542 g·mol−1 Heat of Formation -1378.6 ± 16.7 kJ·mol−1 Dipole Moment 1.18 ± 1.08 D Volume 582.78 Å 3 4-[(1e,3e)-4-(trans-5-{[...
C27H16F3N4O3S
4-[(1e,3e)-4-(trans-5-{[...
C27H16F3N4O3S
Molecular Mass 542.573 g·mol−1 Heat of Formation 1666.5 ± 16.7 kJ·mol−1 Dipole Moment 2.75 ± 1.08 D Volume 544.63 Å 3 (3z)-3-{(2e,4e,6r)-1-Hyd...
C22H27NO6
(3z)-3-{(2e,4e,6r)-1-Hyd...
C22H27NO6
Molecular Mass 401.453 g·mol−1 Heat of Formation -966.0 ± 16.7 kJ·mol−1 Dipole Moment 3.47 ± 1.08 D Volume 480.69 Å 3 Tirandamycin D
C22H27NO6
Tirandamycin D
C22H27NO6
Molecular Mass 401.453 g·mol−1 Heat of Formation -961.1 ± 16.7 kJ·mol−1 Dipole Moment 3.97 ± 1.08 D Volume 480.08 Å 3 (5z)-4-Methoxy-3-Methyl-...
C19H26NO6+
(5z)-4-Methoxy-3-Methyl-...
C19H26NO6+
Molecular Mass 363.405 g·mol−1 Heat of Formation 1732.4 ± 16.7 kJ·mol−1 Dipole Moment 2.93 ± 1.08 D Volume 371.23 Å 3 (5z)-5-[hydroxy(methyl)-...
C19H26NO6+
(5z)-5-[hydroxy(methyl)-...
C19H26NO6+
Molecular Mass 364.413 g·mol−1 Heat of Formation -602.1 ± 16.7 kJ·mol−1 Dipole Moment 6.16 ± 1.08 D Volume 413.35 Å 3 (3z)-3-{(2e,4e,6r)-1-Hyd...
C22H29NO6
(3z)-3-{(2e,4e,6r)-1-Hyd...
C22H29NO6
Molecular Mass 403.469 g·mol−1 Heat of Formation -959.6 ± 16.7 kJ·mol−1 Dipole Moment 7.18 ± 1.08 D Volume 489.25 Å 3 (1r,7r,9r,10r,14s)-12,12...
C12H16N2O5
(1r,7r,9r,10r,14s)-12,12...
C12H16N2O5
Molecular Mass 268.266 g·mol−1 Heat of Formation -739.2 ± 16.7 kJ·mol−1 Dipole Moment 4.53 ± 1.08 D Volume 294.32 Å 3 (1r,7r,9r,10r,14r)-12,12...
C12H16N2O5
(1r,7r,9r,10r,14r)-12,12...
C12H16N2O5
Molecular Mass 268.266 g·mol−1 Heat of Formation -910.9 ± 16.7 kJ·mol−1 Dipole Moment 4.72 ± 1.08 D Volume 291.73 Å 3