ChemSpider 2D Image | (3alpha,4beta,20R)-Cholest-5-ene-3,4-diol | C27H46O2

(3α,4β,20R)-Cholest-5-ene-3,4-diol

  • Molecular FormulaC27H46O2
  • Average mass402.653 Da
  • Monoisotopic mass402.349792 Da
  • ChemSpider ID32791236
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(3α,4β,20R)-Cholest-5-en-3,4-diol [German] [ACD/IUPAC Name]
(3α,4β,20R)-Cholest-5-ene-3,4-diol [ACD/IUPAC Name]
(3α,4β,20R)-Cholest-5-ène-3,4-diol [French] [ACD/IUPAC Name]
Cholest-5-ene-3,4-diol, (3α,4β,20R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 500.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.5±6.0 kJ/mol
Flash Point: 206.7±19.2 °C
Index of Refraction: 1.536
Molar Refractivity: 121.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.80
ACD/LogD (pH 5.5): 7.67
ACD/BCF (pH 5.5): 397884.22
ACD/KOC (pH 5.5): 354714.22
ACD/LogD (pH 7.4): 7.67
ACD/BCF (pH 7.4): 397884.22
ACD/KOC (pH 7.4): 354714.22
Polar Surface Area: 40 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 389.3±5.0 cm3

Click to predict properties on the Chemicalize site






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