ChemSpider 2D Image | (7alpha)-Cholest-5-ene-3,7,25-triol | C27H46O3

(7α)-Cholest-5-ene-3,7,25-triol

  • Molecular FormulaC27H46O3
  • Average mass418.652 Da
  • Monoisotopic mass418.344696 Da
  • ChemSpider ID57422589

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(7α)-Cholest-5-en-3,7,25-triol [German] [ACD/IUPAC Name]
(7α)-Cholest-5-ene-3,7,25-triol [ACD/IUPAC Name]
(7α)-Cholest-5-ène-3,7,25-triol [French] [ACD/IUPAC Name]
Cholest-5-ene-3,7,25-triol, (7α)- [ACD/Index Name]
(7S,8S,9S,10R,13R,14S,17R)-17-((R)-6-Hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
64907-22-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 548.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.2±6.0 kJ/mol
Flash Point: 230.5±20.5 °C
Index of Refraction: 1.550
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: 5.75
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5621.15
ACD/KOC (pH 5.5): 16815.78
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5621.15
ACD/KOC (pH 7.4): 16815.78
Polar Surface Area: 61 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 386.4±5.0 cm3

Click to predict properties on the Chemicalize site


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