R. 271

Molecule SVG Image

Properties Simple | Detailed

Formula C27H33NO10S
IUPAC Name n-[(7s)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6,7-dihydro-5h-benzo[a]heptalen-7-yl]acetamide
Molecular Mass 563.617 g·mol−1
Heat of Formation -1506.3 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 653.69 Å 3
Surface Area 490.69 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(7s)-1,2-dimethoxy-10-(methylthio)-9-oxo-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide
  • n-[(7s)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide
  • n-[(7s)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5h-benzo[d]heptalen-7-yl]ethanamide
  • n-[(7s)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide
  • n-[(7s)-9-keto-1,2-dimethoxy-10-(methylthio)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide
InChIKey LEQAKWQJCITZNK-AXHKHJLKSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N