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

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

  • Molecular FormulaC40H58O2
  • Average mass570.887 Da
  • Monoisotopic mass570.443665 Da
  • ChemSpider ID9975858

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2β,3α,5α)-3-[2-(Benzyloxy)phenyl]cholestan-2-ol [ACD/IUPAC Name]
(2β,3α,5α)-3-[2-(Benzyloxy)phenyl]cholestan-2-ol [German] [ACD/IUPAC Name]
(2β,3α,5α)-3-[2-(Benzyloxy)phényl]cholestan-2-ol [French] [ACD/IUPAC Name]
Cholestan-2-ol, 3-[2-(phenylmethoxy)phenyl]-, (2β,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: 648.0±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 269.2±23.8 °C
Index of Refraction: 1.547
Molar Refractivity: 176.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 13.33
ACD/LogD (pH 5.5): 10.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 29 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 555.0±3.0 cm3

Click to predict properties on the Chemicalize site


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