ChemSpider 2D Image | 7alpha,12alpha,24-trihydroxy-5beta-cholestan-3-one | C27H46O4

7α,12α,24-trihydroxy-5β-cholestan-3-one

  • Molecular FormulaC27H46O4
  • Average mass434.652 Da
  • Monoisotopic mass434.339600 Da
  • ChemSpider ID21865601

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(5β,7α,8ξ,12α)-7,12,24-Trihydroxycholestan-3-on [German] [ACD/IUPAC Name]
(5β,7α,8ξ,12α)-7,12,24-Trihydroxycholestan-3-one [ACD/IUPAC Name]
(5β,7α,8ξ,12α)-7,12,24-Trihydroxycholestan-3-one [French] [ACD/IUPAC Name]
7α,12α,24-trihydroxy-5β-cholestan-3-one
Cholestan-3-one, 7,12,24-trihydroxy-, (5β,7α,8ξ,12α)- [ACD/Index Name]
5β-cholestan-7α,12α,24-triol-3-one
7α,24-dihydroxy-5β-cholestan-3-one

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

CHEBI:48715 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 566.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.8±6.0 kJ/mol
Flash Point: 310.7±26.6 °C
Index of Refraction: 1.534
Molar Refractivity: 123.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.66
ACD/KOC (pH 5.5): 1248.73
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.66
ACD/KOC (pH 7.4): 1248.73
Polar Surface Area: 78 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 397.5±3.0 cm3

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