ChemSpider 2D Image | (3alpha,5beta)-3-Hydroxy-7-methylcholan-24-oic acid | C25H42O3

(3α,5β)-3-Hydroxy-7-methylcholan-24-oic acid

  • Molecular FormulaC25H42O3
  • Average mass390.599 Da
  • Monoisotopic mass390.313385 Da
  • ChemSpider ID23326123

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3α,5β)-3-Hydroxy-7-methylcholan-24-säure [German] [ACD/IUPAC Name]
Acide (3α,5β)-3-hydroxy-7-méthylcholan-24-oïque [French] [ACD/IUPAC Name]
(3α,5β)-3-Hydroxy-7-methylcholan-24-oic acid [ACD/IUPAC Name]
3-α-hydroxy-7-geta-methyl-5-β-cholan-24-oic acid,
Cholan-24-oic acid, 3-hydroxy-7-methyl-, (3α,5β)- [ACD/Index Name]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 517.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 90.8±0.0 kJ/mol
Flash Point: 280.6±0.0 °C
Index of Refraction: 1.520
Molar Refractivity: 112.8±0.0 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 26649.92
ACD/KOC (pH 5.5): 30074.90
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 425.79
ACD/KOC (pH 7.4): 480.51
Polar Surface Area: 58 Å2
Polarizability: 44.7±0.0 10-24cm3
Surface Tension: 39.4±0.0 dyne/cm
Molar Volume: 370.9±0.0 cm3

Click to predict properties on the Chemicalize site


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