ChemSpider 2D Image | (3beta,9beta,10alpha,17alpha)-Cholest-5-ene-3,26-diol | C27H46O2

(3β,9β,10α,17α)-Cholest-5-ene-3,26-diol

  • Molecular FormulaC27H46O2
  • Average mass402.653 Da
  • Monoisotopic mass402.349792 Da
  • ChemSpider ID113609113

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β,9β,10α,17α)-Cholest-5-en-3,26-diol [German] [ACD/IUPAC Name]
(3β,9β,10α,17α)-Cholest-5-ene-3,26-diol [ACD/IUPAC Name]
(3β,9β,10α,17α)-Cholest-5-ène-3,26-diol [French] [ACD/IUPAC Name]
Cholest-5-ene-3,26-diol, (3β,9β,10α,17α)- [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: 517.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.8±6.0 kJ/mol
Flash Point: 215.6±17.2 °C
Index of Refraction: 1.538
Molar Refractivity: 121.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 72592.91
ACD/KOC (pH 5.5): 104956.30
ACD/LogD (pH 7.4): 6.70
ACD/BCF (pH 7.4): 72592.91
ACD/KOC (pH 7.4): 104956.30
Polar Surface Area: 40 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 388.7±5.0 cm3

Click to predict properties on the Chemicalize site


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