ChemSpider 2D Image | (3beta,8xi,9xi,14xi)-Cholest-5-en-3-yl benzoate | C34H50O2

(3β,8ξ,9ξ,14ξ)-Cholest-5-en-3-yl benzoate

  • Molecular FormulaC34H50O2
  • Average mass490.760 Da
  • Monoisotopic mass490.381073 Da
  • ChemSpider ID29767172

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ)-Cholest-5-en-3-yl benzoate [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ)-Cholest-5-en-3-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (3β,8ξ,9ξ,14ξ)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Cholest-5-en-3-ol, benzoate, (3β,8ξ,9ξ,14ξ)- [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: 563.6±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 252.7±10.4 °C
Index of Refraction: 1.547
Molar Refractivity: 149.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 12.68
ACD/LogD (pH 5.5): 10.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 471.6±5.0 cm3

Click to predict properties on the Chemicalize site


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