(5R)-2,4-Dideoxy-2-Ethyl-5-[(2S,3S,4S,6R)-6-{(2S,2'R,3'R,4S,5S,5'R)-5'-Ethyl-2'-Hydroxy-5'-[(1S)-1-Hydroxypropyl]-2,3',4-Trimethyloctahydro-2,2'-Bifuran-5-Yl}-3-Hydroxy-4-Methyl-5-Oxo-2-Octanyl]-4-Methyl-1-C-Methyl-α-D-Ribopyranose

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Properties Simple | Detailed

Formula C31H22O9
IUPAC Name 5-ethynyl-3-methylene-furan-2-one; 6-[(9-ethynyl-2-methyl-7-methylene-8-oxo-4,9-dihydrofuro[3,2-c]oxocin-6-ylidene)methylene]-3,5-dimethylene-tetrahydropyran-2,4-dione; prop-1-yn-1-ol
Molecular Mass 538.501 g·mol−1
Heat of Formation -2231.9 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 800.15 Å 3
Surface Area 561.6 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 1.45 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5s,6s,7s)-7-[(2r,3s,4r,5r,6s)-5-ethyl-4,6-dihydroxy-3,6-dimethyl-2-tetrahydropyranyl]-3-[(2s,3s,5s)-5-[(2r,3r,5r)-5-ethyl-2-hydroxy-5-[(1s)-1-hydroxypropyl]-3-methyl-2-tetrahydrofuranyl]-3,5-dimethyl-2-tetrahydrofuranyl]-6-hydroxy-5-methyloctan-4-one
  • (3r,5s,6s,7s)-7-[(2r,3s,4r,5r,6s)-5-ethyl-4,6-dihydroxy-3,6-dimethyl-oxan-2-yl]-3-[(2s,3s,5s)-5-[(2r,3r,5r)-5-ethyl-2-hydroxy-5-[(1s)-1-hydroxypropyl]-3-methyl-oxolan-2-yl]-3,5-dimethyl-oxolan-2-yl]-6-hydroxy-5-methyl-octan-4-one
  • (3r,5s,6s,7s)-7-[(2r,3s,4r,5r,6s)-5-ethyl-4,6-dihydroxy-3,6-dimethyl-tetrahydropyran-2-yl]-3-[(2s,3s,5s)-5-[(2r,3r,5r)-5-ethyl-2-hydroxy-5-[(1s)-1-hydroxypropyl]-3-methyl-tetrahydrofuran-2-yl]-3,5-dimethyl-tetrahydrofuran-2-yl]-6-hydroxy-5-methyl-octan-4-one
  • (3r,5s,6s,7s)-7-[(2r,3s,4r,5r,6s)-5-ethyl-4,6-dihydroxy-3,6-dimethyloxan-2-yl]-3-[(2s,3s,5s)-5-[(2r,3r,5r)-5-ethyl-2-hydroxy-5-[(1s)-1-hydroxypropyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-6-hydroxy-5-methyloctan-4-one
  • (5r)-3-de(carboxymethyl)-4-demethyl-4-ethyl-5-hydroxy-3-methyllysocellin
  • antibiotic x 14873h
  • lysocellin, 3-de(carboxymethyl)-4-demethyl-4-ethyl-5-hydroxy-3-methyl-, (5r)-
  • x 14873h
CAS Number(s)
  • 88263-36-9
InChIKey IEQQACHXAULSJM-YBICIYRWSA-N
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