ChemSpider 2D Image | (4alpha,5alpha,24R)-24,25-Dihydroxy-4-methyl-3-oxocholest-8-ene-14-carboxylic acid | C29H46O5

(4α,5α,24R)-24,25-Dihydroxy-4-methyl-3-oxocholest-8-ene-14-carboxylic acid

  • Molecular FormulaC29H46O5
  • Average mass474.672 Da
  • Monoisotopic mass474.334534 Da
  • ChemSpider ID40256772

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4α,5α,24R)-24,25-Dihydroxy-4-methyl-3-oxocholest-8-en-14-carbonsäure [German] [ACD/IUPAC Name]
(4α,5α,24R)-24,25-Dihydroxy-4-methyl-3-oxocholest-8-ene-14-carboxylic acid [ACD/IUPAC Name]
Acide (4α,5α,24R)-24,25-dihydroxy-4-méthyl-3-oxocholest-8-ène-14-carboxylique [French] [ACD/IUPAC Name]
Cholest-8-ene-14-carboxylic acid, 24,25-dihydroxy-4-methyl-3-oxo-, (4α,5α,24R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 625.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.1±6.0 kJ/mol
Flash Point: 345.9±28.0 °C
Index of Refraction: 1.557
Molar Refractivity: 132.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 259.89
ACD/KOC (pH 5.5): 981.59
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 4.08
ACD/KOC (pH 7.4): 15.42
Polar Surface Area: 95 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 411.3±5.0 cm3

Click to predict properties on the Chemicalize site


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