(7S)-7-Acetamido-1,2-Dimethoxy-10-(Methylsulfanyl)-9-Oxo-5,6,7,9-Tetrahydrobenzo[A]Heptalen-3-Yl Chloroacetate

Molecule SVG Image

Properties Simple | Detailed

Formula C23H24ClNO6S
IUPAC Name [(7s)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-3-yl] 2-chloroacetate
Molecular Mass 477.958 g·mol−1
Heat of Formation -447.3 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 536.52 Å 3
Surface Area 417.79 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloroacetic acid [(7s)-7-acetamido-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-3-yl] ester
  • 2-chloroacetic acid [(7s)-7-acetamido-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5h-benzo[d]heptalen-3-yl] ester
  • 3-catc
  • 3-chloroacetyl-3-demethylthiocolchicine
  • [(7s)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-3-yl] 2-chloroacetate
  • [(7s)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-3-yl] 2-chloroethanoate
  • acetic acid, chloro-, 7-(acetylamino)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-3-yl ester, (s)-
CAS Number(s)
  • 148731-66-2
InChIKey KXBYMXNKGWHCBS-INIZCTEOSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S