ChemSpider 2D Image | (3beta,8xi,9xi,14xi)-3-Hydroxycholest-5-en-24-one | C27H44O2

(3β,8ξ,9ξ,14ξ)-3-Hydroxycholest-5-en-24-one

  • Molecular FormulaC27H44O2
  • Average mass400.637 Da
  • Monoisotopic mass400.334137 Da
  • ChemSpider ID24823270

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ)-3-Hydroxycholest-5-en-24-on [German] [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ)-3-Hydroxycholest-5-en-24-one [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ)-3-Hydroxycholest-5-én-24-one [French] [ACD/IUPAC Name]
Cholest-5-en-24-one, 3-hydroxy-, (3β,8ξ,9ξ,14ξ)- [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: 508.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.7±6.0 kJ/mol
Flash Point: 215.3±15.2 °C
Index of Refraction: 1.531
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 51485.75
ACD/KOC (pH 5.5): 82074.44
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 51485.75
ACD/KOC (pH 7.4): 82074.44
Polar Surface Area: 37 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 388.3±5.0 cm3

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