ChemSpider 2D Image | (3beta,4alpha)-3-Hydroxycholest-7-ene-4-carboxylic acid | C28H46O3

(3β,4α)-3-Hydroxycholest-7-ene-4-carboxylic acid

  • Molecular FormulaC28H46O3
  • Average mass430.663 Da
  • Monoisotopic mass430.344696 Da
  • ChemSpider ID110805700

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β,4α)-3-Hydroxycholest-7-en-4-carbonsäure [German] [ACD/IUPAC Name]
(3β,4α)-3-Hydroxycholest-7-ene-4-carboxylic acid [ACD/IUPAC Name]
Acide (3β,4α)-3-hydroxycholest-7-ène-4-carboxylique [French] [ACD/IUPAC Name]
Cholest-7-ene-4-carboxylic acid, 3-hydroxy-, (3β,4α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 552.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.7±6.0 kJ/mol
Flash Point: 301.8±26.6 °C
Index of Refraction: 1.540
Molar Refractivity: 126.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.73
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 14577.02
ACD/KOC (pH 5.5): 14104.38
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 245.13
ACD/KOC (pH 7.4): 237.18
Polar Surface Area: 58 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 402.3±5.0 cm3

Click to predict properties on the Chemicalize site


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