ChemSpider 2D Image | (3beta,4beta,5alpha)-3-Hydroxy-4-methylcholest-7-ene-4-carboxylic acid | C29H48O3

(3β,4β,5α)-3-Hydroxy-4-methylcholest-7-ene-4-carboxylic acid

  • Molecular FormulaC29H48O3
  • Average mass444.690 Da
  • Monoisotopic mass444.360352 Da
  • ChemSpider ID21864864

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,4β,5α)-3-Hydroxy-4-methylcholest-7-en-4-carbonsäure [German] [ACD/IUPAC Name]
(3β,4β,5α)-3-Hydroxy-4-methylcholest-7-ene-4-carboxylic acid [ACD/IUPAC Name]
3β-hydroxy-4α-methyl-5α-cholest-7-ene-4β-carboxylic acid
Acide (3β,4β,5α)-3-hydroxy-4-méthylcholest-7-ène-4-carboxylique [French] [ACD/IUPAC Name]
Cholest-7-ene-4-carboxylic acid, 3-hydroxy-4-methyl-, (3β,4β,5α)- [ACD/Index Name]
3β-hydroxy-4α-methyl-5α-cholest-7-ene-4β-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 555.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.1±6.0 kJ/mol
Flash Point: 303.5±26.6 °C
Index of Refraction: 1.538
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.27
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 23712.46
ACD/KOC (pH 5.5): 20956.98
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 388.51
ACD/KOC (pH 7.4): 343.36
Polar Surface Area: 58 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 418.2±5.0 cm3

Click to predict properties on the Chemicalize site


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