ChemSpider 2D Image | Chloromethyl (7S)-7-acetamido-1,3-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalene-2-carboxylate | C23H24ClNO6S

Chloromethyl (7S)-7-acetamido-1,3-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalene-2-carboxylate

  • Molecular FormulaC23H24ClNO6S
  • Average mass477.958 Da
  • Monoisotopic mass477.101288 Da
  • ChemSpider ID23976992

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(7S)-7-Acétamido-1,3-diméthoxy-10-(méthylsulfanyl)-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalène-2-carboxylate de chlorométhyle [French] [ACD/IUPAC Name]
Benzo[a]heptalene-2-carboxylic acid, 7-(acetylamino)-5,6,7,9-tetrahydro-1,3-dimethoxy-10-(methylthio)-9-oxo-, chloromethyl ester, (7S)- [ACD/Index Name]
Chlormethyl-(7S)-7-acetamido-1,3-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-2-carboxylat [German] [ACD/IUPAC Name]
Chloromethyl (7S)-7-acetamido-1,3-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalene-2-carboxylate [ACD/IUPAC Name]
(S)-2-Chloroacetyl-2-demethylthiocolchicine
1217814-57-7 [RN]
148731-67-3 [RN]
chloromethyl (7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalene-2-carboxylate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 808.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 117.5±3.0 kJ/mol
    Flash Point: 442.4±34.3 °C
    Index of Refraction: 1.617
    Molar Refractivity: 122.5±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.72
    ACD/LogD (pH 5.5): 3.28
    ACD/BCF (pH 5.5): 183.01
    ACD/KOC (pH 5.5): 1449.08
    ACD/LogD (pH 7.4): 3.28
    ACD/BCF (pH 7.4): 183.01
    ACD/KOC (pH 7.4): 1449.08
    Polar Surface Area: 116 Å2
    Polarizability: 48.5±0.5 10-24cm3
    Surface Tension: 57.6±5.0 dyne/cm
    Molar Volume: 350.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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