Methyl (1R,2R,4S)-2,5,7-Trihydroxy-2-Methyl-6,11-Dioxo-4-{[2,3,6-Trideoxy-4-O-(2,6-Dideoxy-α-L-Lyxo-Hexopyranosyl)-3-(Dimethylamino)-α-L-Lyxo-Hexopyranosyl]Oxy}-1,2,3,4,6,11-Hexahydro-1-Tetracenecarboxylate

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Properties Simple | Detailed

Formula C35H43NO13
IUPAC Name methyl (1r,2r,4s)-4-[(2r,4s,5s,6s)-5-[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
Molecular Mass 685.715 g·mol−1
Heat of Formation -2268.0 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 776.21 Å 3
Surface Area 579.62 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4s)-4-[(2r,4s,5s,6s)-5-[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-dimethylamino-6-methyl-tetrahydropyran-2-yl]oxy-2,5,7-trihydroxy-6,11-diketo-2-methyl-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • (1r,2r,4s)-4-[[(2r,4s,5s,6s)-5-[[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-4-dimethylamino-6-methyl-2-tetrahydropyranyl]oxy]-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • methyl (1r,2r,4s)-4-[(2r,4s,5s,6s)-5-[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-4-dimethylamino-6-methyl-oxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
  • methyl (1r,2r,4s)-4-[(2r,4s,5s,6s)-5-[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-dimethylamino-6-methyl-tetrahydropyran-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
  • methyl (1r,2r,4s)-4-[(2r,4s,5s,6s)-5-[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-dimethylamino-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
InChIKey UMJYAGXWXMMVDD-PBNPBMIJSA-N
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