ChemSpider 2D Image | (3alpha,5alpha)-3-[2-(Benzyloxy)phenyl]cholestan-3-ol | C40H58O2

(3α,5α)-3-[2-(Benzyloxy)phenyl]cholestan-3-ol

  • Molecular FormulaC40H58O2
  • Average mass570.887 Da
  • Monoisotopic mass570.443665 Da
  • ChemSpider ID8849947

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,5α)-3-[2-(Benzyloxy)phenyl]cholestan-3-ol [ACD/IUPAC Name]
(3α,5α)-3-[2-(Benzyloxy)phenyl]cholestan-3-ol [German] [ACD/IUPAC Name]
(3α,5α)-3-[2-(Benzyloxy)phényl]cholestan-3-ol [French] [ACD/IUPAC Name]
Cholestan-3-ol, 3-[2-(phenylmethoxy)phenyl]-, (3α,5α)- [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: 657.6±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 275.9±22.4 °C
Index of Refraction: 1.548
Molar Refractivity: 175.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 13.38
ACD/LogD (pH 5.5): 11.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 29 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 553.5±3.0 cm3

Click to predict properties on the Chemicalize site


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