ChemSpider 2D Image | dihydroxycholesterol | C27H46O3

dihydroxycholesterol

  • Molecular FormulaC27H46O3
  • Average mass418.652 Da
  • Monoisotopic mass418.344696 Da
  • ChemSpider ID25940680

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-Cholest-5-en-1,1,3-triol [German] [ACD/IUPAC Name]
(3β)-Cholest-5-ene-1,1,3-triol [ACD/IUPAC Name]
(3β)-Cholest-5-ène-1,1,3-triol [French] [ACD/IUPAC Name]
Cholest-5-ene-1,1,3-triol, (3β)- [ACD/Index Name]
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: 544.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.6±6.0 kJ/mol
Flash Point: 228.5±24.7 °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: 7.57
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 45703.93
ACD/KOC (pH 5.5): 75366.30
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 45703.73
ACD/KOC (pH 7.4): 75365.98
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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