ChemSpider 2D Image | (2beta,3beta,5beta)-2,3-Dihydroxycholestan-6-one | C27H46O3

(2β,3β,5β)-2,3-Dihydroxycholestan-6-one

  • Molecular FormulaC27H46O3
  • Average mass418.652 Da
  • Monoisotopic mass418.344696 Da
  • ChemSpider ID57523255

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2β,3β,5β)-2,3-Dihydroxycholestan-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β)-2,3-Dihydroxycholestan-6-one [ACD/IUPAC Name]
(2β,3β,5β)-2,3-Dihydroxycholestan-6-one [French] [ACD/IUPAC Name]
Cholestan-6-one, 2,3-dihydroxy-, (2β,3β,5β)- [ACD/Index Name]
2,3-Dihydroxycholestan-6-one [ACD/IUPAC Name]
7674-80-8 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 518.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.0±6.0 kJ/mol
Flash Point: 281.4±26.6 °C
Index of Refraction: 1.523
Molar Refractivity: 122.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 10985.99
ACD/KOC (pH 5.5): 27165.77
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 10985.99
ACD/KOC (pH 7.4): 27165.77
Polar Surface Area: 58 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 399.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement