ChemSpider 2D Image | (3beta,5beta,6beta,8alpha,9beta)-5,6-Epoxycholestan-3-yl acetate | C29H48O3

(3β,5β,6β,8α,9β)-5,6-Epoxycholestan-3-yl acetate

  • Molecular FormulaC29H48O3
  • Average mass444.690 Da
  • Monoisotopic mass444.360352 Da
  • ChemSpider ID62496984

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5β,6α,14β,17α)-5,6-Epoxycholestan-3-yl acetate [ACD/IUPAC Name]
(3β,5β,6α,14β,17α)-5,6-Epoxycholestan-3-yl-acetat [German] [ACD/IUPAC Name]
(3β,5β,6β,8α,9β)-5,6-Epoxycholestan-3-yl acetate [ACD/IUPAC Name]
(3β,5β,6β,8α,9β)-5,6-Epoxycholestan-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5β,6α,14β,17α)-5,6-époxycholestan-3-yle [French] [ACD/IUPAC Name]
Acétate de (3β,5β,6β,8α,9β)-5,6-époxycholestan-3-yle [French] [ACD/IUPAC Name]
Cholestan-3-ol, 5,6-epoxy-, acetate, (3β,5β,6α,14β,17α)- [ACD/Index Name]
Cholestan-3-ol, 5,6-epoxy-, acetate, (3β,5β,6β,8α,9β)- [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: 506.5±33.0 °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: 219.4±20.0 °C
Index of Refraction: 1.523
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.74
ACD/LogD (pH 5.5): 7.64
ACD/BCF (pH 5.5): 379937.69
ACD/KOC (pH 5.5): 343187.16
ACD/LogD (pH 7.4): 7.64
ACD/BCF (pH 7.4): 379937.69
ACD/KOC (pH 7.4): 343187.16
Polar Surface Area: 39 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 39.4±5.0 dyne/cm
Molar Volume: 424.3±5.0 cm3

Click to predict properties on the Chemicalize site


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