ChemSpider 2D Image | (3beta,8xi)-7-Oxocholest-5-en-3-yl acetate | C29H46O3

(3β,8ξ)-7-Oxocholest-5-en-3-yl acetate

  • Molecular FormulaC29H46O3
  • Average mass442.674 Da
  • Monoisotopic mass442.344696 Da
  • ChemSpider ID73977226

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,8ξ)-7-Oxocholest-5-en-3-yl acetate [ACD/IUPAC Name]
(3β,8ξ)-7-Oxocholest-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,8ξ)-7-oxocholest-5-én-3-yle [French] [ACD/IUPAC Name]
Cholest-5-en-7-one, 3-(acetyloxy)-, (3β,8ξ)- [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: 526.9±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 220.9±27.1 °C
Index of Refraction: 1.521
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.43
ACD/LogD (pH 5.5): 7.01
ACD/BCF (pH 5.5): 125550.05
ACD/KOC (pH 5.5): 155349.86
ACD/LogD (pH 7.4): 7.01
ACD/BCF (pH 7.4): 125550.05
ACD/KOC (pH 7.4): 155349.86
Polar Surface Area: 43 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 39.3±5.0 dyne/cm
Molar Volume: 426.1±5.0 cm3

Click to predict properties on the Chemicalize site


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