ChemSpider 2D Image | (3beta,7alpha)-(3,7-~2~H_2_)Cholest-5-ene-3,7-diol | C27H44D2O2

(3β,7α)-(3,7-2H2)Cholest-5-ene-3,7-diol

  • Molecular FormulaC27H44D2O2
  • Average mass404.665 Da
  • Monoisotopic mass404.362335 Da
  • ChemSpider ID8986547

  • defined stereocentres - 9 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β,7α)-(3,7-2H2)Cholest-5-en-3,7-diol [German] [ACD/IUPAC Name]
(3β,7α)-(3,7-2H2)Cholest-5-ene-3,7-diol [ACD/IUPAC Name]
(3β,7α)-(3,7-2H2)Cholest-5-ène-3,7-diol [French] [ACD/IUPAC Name]
Cholest-5-ene-3,7-d2-3,7-diol, (3β,7α)- [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: 515.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.6±6.0 kJ/mol
Flash Point: 214.7±21.4 °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: 7.94
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 97504.28
ACD/KOC (pH 5.5): 129635.04
ACD/LogD (pH 7.4): 6.87
ACD/BCF (pH 7.4): 97504.28
ACD/KOC (pH 7.4): 129635.04
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

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