ChemSpider 2D Image | (3beta,4alpha,5alpha,14xi)-3-Hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid | C29H46O3

(3β,4α,5α,14ξ)-3-Hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid

  • Molecular FormulaC29H46O3
  • Average mass442.674 Da
  • Monoisotopic mass442.344696 Da
  • ChemSpider ID24850067

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,4α,5α,14ξ)-3-Hydroxy-4-methylcholesta-8,24-dien-4-carbonsäure [German] [ACD/IUPAC Name]
(3β,4α,5α,14ξ)-3-Hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid [ACD/IUPAC Name]
Acide (3β,4α,5α,14ξ)-3-hydroxy-4-méthylcholesta-8,24-diène-4-carboxylique [French] [ACD/IUPAC Name]
Cholesta-8,24-diene-4-carboxylic acid, 3-hydroxy-4-methyl-, (3β,4α,5α,14ξ)- [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: 558.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.6±6.0 kJ/mol
Flash Point: 305.7±26.6 °C
Index of Refraction: 1.549
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.00
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 44908.49
ACD/KOC (pH 5.5): 33058.11
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 736.26
ACD/KOC (pH 7.4): 541.98
Polar Surface Area: 58 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 410.0±5.0 cm3

Click to predict properties on the Chemicalize site


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