ChemSpider 2D Image | (4alpha,8alpha,17xi)-4,14-Dimethyl-8,9-epoxycholestan-3-one | C29H48O2

(4α,8α,17ξ)-4,14-Dimethyl-8,9-epoxycholestan-3-one

  • Molecular FormulaC29H48O2
  • Average mass428.690 Da
  • Monoisotopic mass428.365417 Da
  • ChemSpider ID30650587
  • defined stereocentres - 7 of 9 defined stereocentres


More details:






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

(4α,8α,17ξ)-4,14-Dimethyl-8,9-epoxycholestan-3-on [German] [ACD/IUPAC Name]
(4α,8α,17ξ)-4,14-Dimethyl-8,9-epoxycholestan-3-one [ACD/IUPAC Name]
(4α,8α,17ξ)-4,14-Diméthyl-8,9-époxycholestan-3-one [French] [ACD/IUPAC Name]
Cholestan-3-one, 8,9-epoxy-4,14-dimethyl-, (4α,8α,17ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 505.8±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 171.2±21.7 °C
Index of Refraction: 1.525
Molar Refractivity: 127.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.24
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 201009.22
ACD/KOC (pH 5.5): 217579.45
ACD/LogD (pH 7.4): 7.28
ACD/BCF (pH 7.4): 201009.22
ACD/KOC (pH 7.4): 217579.45
Polar Surface Area: 30 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 38.8±5.0 dyne/cm
Molar Volume: 417.3±5.0 cm3

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