ChemSpider 2D Image | (3beta,9xi,14xi,20R)-Cholest-5-ene-3,17,20-triol | C27H46O3

(3β,9ξ,14ξ,20R)-Cholest-5-ene-3,17,20-triol

  • Molecular FormulaC27H46O3
  • Average mass418.652 Da
  • Monoisotopic mass418.344696 Da
  • ChemSpider ID59697188

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3β,9ξ,14ξ,20R)-Cholest-5-en-3,17,20-triol [German] [ACD/IUPAC Name]
(3β,9ξ,14ξ,20R)-Cholest-5-ene-3,17,20-triol [ACD/IUPAC Name]
(3β,9ξ,14ξ,20R)-Cholest-5-ène-3,17,20-triol [French] [ACD/IUPAC Name]
Cholest-5-ene-3,17,20-triol, (3β,9ξ,14ξ,20R)- [ACD/Index Name]
(2R,5S,10R,14R,15S)-14-[(2R)-2-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-ene-5,14-diol
17α,20α-Dihydroxycholesterol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 541.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 226.9±24.7 °C
Index of Refraction: 1.551
Molar Refractivity: 123.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15490.63
ACD/KOC (pH 5.5): 34740.75
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15490.63
ACD/KOC (pH 7.4): 34740.75
Polar Surface Area: 61 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 385.6±5.0 cm3

Click to predict properties on the Chemicalize site


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