ChemSpider 2D Image | (3beta,5beta,9beta,10alpha,13alpha)-3-Hydroxycholest-8(14)-en-15-one | C27H44O2

(3β,5β,9β,10α,13α)-3-Hydroxycholest-8(14)-en-15-one

  • Molecular FormulaC27H44O2
  • Average mass400.637 Da
  • Monoisotopic mass400.334137 Da
  • ChemSpider ID62289076

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3α,5β,9β,10α,13α,17α)-3-Hydroxycholest-8(14)-en-15-on [German] [ACD/IUPAC Name]
(3α,5β,9β,10α,13α,17α)-3-Hydroxycholest-8(14)-en-15-one [ACD/IUPAC Name]
(3α,5β,9β,10α,13α,17α)-3-Hydroxycholest-8(14)-én-15-one [French] [ACD/IUPAC Name]
(3β,5β,9β,10α,13α)-3-Hydroxycholest-8(14)-en-15-on [German] [ACD/IUPAC Name]
(3β,5β,9β,10α,13α)-3-Hydroxycholest-8(14)-en-15-one [ACD/IUPAC Name]
(3β,5β,9β,10α,13α)-3-Hydroxycholest-8(14)-én-15-one [French] [ACD/IUPAC Name]
Cholest-8(14)-en-15-one, 3-hydroxy-, (3α,5β,9β,10α,13α,17α)- [ACD/Index Name]
Cholest-8(14)-en-15-one, 3-hydroxy-, (3β,5β,9β,10α,13α)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 516.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 218.2±22.7 °C
Index of Refraction: 1.531
Molar Refractivity: 119.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 73895.91
ACD/KOC (pH 5.5): 106301.37
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 73895.91
ACD/KOC (pH 7.4): 106301.37
Polar Surface Area: 37 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 387.5±5.0 cm3

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