ChemSpider 2D Image | Nutriacholic acid | C24H38O4

Nutriacholic acid

  • Molecular FormulaC24H38O4
  • Average mass390.556 Da
  • Monoisotopic mass390.277008 Da
  • ChemSpider ID17215957
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

Nutriacholic acid
(3α)-3-Hydroxy-7-oxocholan-24-oic acid [ACD/IUPAC Name]
(3α)-3-Hydroxy-7-oxocholan-24-säure [German] [ACD/IUPAC Name]
4651-67-6 [RN]
7-Oxo-3a-hydroxycholan-24-oic acid
Acide (3α)-3-hydroxy-7-oxocholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3-hydroxy-7-oxo-, (3α)- [ACD/Index Name]
3a-hydroxy-7-oxo-5b-cholanoate
3a-hydroxy-7-oxo-5b-cholanoic acid
5b-Cholanic acid-3a-ol-7-one
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 545.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.8±6.0 kJ/mol
Flash Point: 298.0±19.7 °C
Index of Refraction: 1.535
Molar Refractivity: 108.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 112.99
ACD/KOC (pH 5.5): 601.63
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 1.80
ACD/KOC (pH 7.4): 9.61
Polar Surface Area: 75 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 347.4±3.0 cm3

Click to predict properties on the Chemicalize site






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