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ChemSpider 2D Image | a-Muricholic acid | C24H40O5

a-Muricholic acid

  • Molecular FormulaC24H40O5
  • Average mass408.571 Da
  • Monoisotopic mass408.287567 Da
  • ChemSpider ID17215963

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

Date of deprecation: 10:10, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

a-Muricholic acid
(3α,5β,6β,7α)-3,6,7-Trihydroxycholan-24-oic acid [ACD/IUPAC Name]
(3α,5β,6β,7α)-3,6,7-Trihydroxycholan-24-säure [German] [ACD/IUPAC Name]
2393-58-0 [RN]
3a,6b,7a-Trihydroxy-5b-cholan-24-oic acid
3α,6β,7α-Trihydroxy-5β-cholan-24-oic Acid
Acide (3α,5β,6β,7α)-3,6,7-trihydroxycholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3,6,7-trihydroxy-, (3α,5β,6β,7α)- [ACD/Index Name]
3a,6b,7a-Trihydroxy-5b-cholan-24-oate
3a,6b,7a-trihydroxy-5b-Cholanate
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 565.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.6±6.0 kJ/mol
Flash Point: 310.0±23.8 °C
Index of Refraction: 1.558
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 15.02
ACD/KOC (pH 5.5): 141.90
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.27
Polar Surface Area: 98 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 344.8±3.0 cm3

Click to predict properties on the Chemicalize site


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