ChemSpider 2D Image | (3alpha,5beta,7alpha,25S)-Cholestane-3,7,26-triol | C27H48O3

(3α,5β,7α,25S)-Cholestane-3,7,26-triol

  • Molecular FormulaC27H48O3
  • Average mass420.668 Da
  • Monoisotopic mass420.360352 Da
  • ChemSpider ID110805908

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,5β,7α,25S)-Cholestan-3,7,26-triol [German] [ACD/IUPAC Name]
(3α,5β,7α,25S)-Cholestane-3,7,26-triol [ACD/IUPAC Name]
(3α,5β,7α,25S)-Cholestane-3,7,26-triol [French] [ACD/IUPAC Name]
Cholestane-3,7,26-triol, (3α,5β,7α,25S)- [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: 539.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.0±6.0 kJ/mol
Flash Point: 225.0±17.8 °C
Index of Refraction: 1.529
Molar Refractivity: 123.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2529.88
ACD/KOC (pH 5.5): 9495.88
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2529.88
ACD/KOC (pH 7.4): 9495.88
Polar Surface Area: 61 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 400.6±3.0 cm3

Click to predict properties on the Chemicalize site


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