ChemSpider 2D Image | (3alpha,5beta,17alpha)-3-Hydroxycholan-24-oic acid | C24H40O3

(3α,5β,17α)-3-Hydroxycholan-24-oic acid

  • Molecular FormulaC24H40O3
  • Average mass376.573 Da
  • Monoisotopic mass376.297760 Da
  • ChemSpider ID29315012

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,5β,17α)-3-Hydroxycholan-24-oic acid [ACD/IUPAC Name]
(3α,5β,17α)-3-Hydroxycholan-24-säure [German] [ACD/IUPAC Name]
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Acide (3α,5β,17α)-3-hydroxycholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3-hydroxy-, (3α,5β,17α)- [ACD/Index Name]
434-13-9 [RN]
Lithocholic acid [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 511.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 276.9±19.1 °C
Index of Refraction: 1.528
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 1457.92
ACD/KOC (pH 5.5): 3757.54
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 23.29
ACD/KOC (pH 7.4): 60.03
Polar Surface Area: 58 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 350.9±3.0 cm3

Click to predict properties on the Chemicalize site


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