ChemSpider 2D Image | (3beta,5alpha,6beta,22E)-3,5-Dihydroxy-24-oxocholest-22-en-6-yl acetate | C29H46O5

(3β,5α,6β,22E)-3,5-Dihydroxy-24-oxocholest-22-en-6-yl acetate

  • Molecular FormulaC29H46O5
  • Average mass474.672 Da
  • Monoisotopic mass474.334534 Da
  • ChemSpider ID35516812

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,5α,6β,22E)-3,5-Dihydroxy-24-oxocholest-22-en-6-yl acetate [ACD/IUPAC Name]
(3β,5α,6β,22E)-3,5-Dihydroxy-24-oxocholest-22-en-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5α,6β,22E)-3,5-dihydroxy-24-oxocholest-22-én-6-yle [French] [ACD/IUPAC Name]
Cholest-22-en-24-one, 6-(acetyloxy)-3,5-dihydroxy-, (3β,5α,6β,22E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 571.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 178.1±20.8 °C
Index of Refraction: 1.543
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1159.75
ACD/KOC (pH 5.5): 5433.38
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1159.75
ACD/KOC (pH 7.4): 5433.38
Polar Surface Area: 84 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 421.7±5.0 cm3

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