ChemSpider 2D Image | Methyl (3beta,5beta,12E)-3-acetoxy-12-(hydroxyimino)cholan-24-oate | C27H43NO5

Methyl (3β,5β,12E)-3-acetoxy-12-(hydroxyimino)cholan-24-oate

  • Molecular FormulaC27H43NO5
  • Average mass461.634 Da
  • Monoisotopic mass461.314117 Da
  • ChemSpider ID29403571

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5β,12E)-3-Acétoxy-12-(hydroxyimino)cholan-24-oate de méthyle [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3-(acetyloxy)-12-(hydroxyimino)-, methyl ester, (3β,5β,12E)- [ACD/Index Name]
Methyl (3β,5β,12E)-3-acetoxy-12-(hydroxyimino)cholan-24-oate [ACD/IUPAC Name]
Methyl-(3β,5β,12E)-3-acetoxy-12-(hydroxyimino)cholan-24-oat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 544.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 283.1±25.9 °C
Index of Refraction: 1.595
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12536.63
ACD/KOC (pH 5.5): 29858.38
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12536.45
ACD/KOC (pH 7.4): 29857.95
Polar Surface Area: 85 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 368.7±7.0 cm3

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