ChemSpider 2D Image | 3beta-hydroxy-5alpha-cholestan-15-one | C27H46O2

3β-hydroxy-5α-cholestan-15-one

  • Molecular FormulaC27H46O2
  • Average mass402.653 Da
  • Monoisotopic mass402.349792 Da
  • ChemSpider ID26332401

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5α)-3-Hydroxycholestan-15-on [German] [ACD/IUPAC Name]
(3β,5α)-3-Hydroxycholestan-15-one [ACD/IUPAC Name]
(3β,5α)-3-Hydroxycholestan-15-one [French] [ACD/IUPAC Name]
3β-hydroxy-5α-cholestan-15-one
Cholestan-15-one, 3-hydroxy-, (3β,5α)- [ACD/Index Name]
(3β,55α)-3-hydroxycholestan-15-one
15-ketocholestane
15-oxo-5α-cholestan-3β-ol
3β-hydroxy-5α,14α-cholestan-15-one
55823-04-6 [RN]
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 501.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.7±6.0 kJ/mol
Flash Point: 212.4±22.7 °C
Index of Refraction: 1.510
Molar Refractivity: 120.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 45437.10
ACD/KOC (pH 5.5): 75051.12
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 45437.10
ACD/KOC (pH 7.4): 75051.12
Polar Surface Area: 37 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 402.6±3.0 cm3

Click to predict properties on the Chemicalize site


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