ChemSpider 2D Image | (3alpha,5beta,7alpha,16alpha)-3,7,16-Trihydroxycholan-24-oate | C24H39O5

(3α,5β,7α,16α)-3,7,16-Trihydroxycholan-24-oate

  • Molecular FormulaC24H39O5
  • Average mass407.564 Da
  • Monoisotopic mass407.280304 Da
  • ChemSpider ID34892328

  • Charge - Charge

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,5β,7α,16α)-3,7,16-Trihydroxycholan-24-oat [German] [ACD/IUPAC Name]
(3α,5β,7α,16α)-3,7,16-Trihydroxycholan-24-oate [ACD/IUPAC Name]
(3α,5β,7α,16α)-3,7,16-Trihydroxycholan-24-oate [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3,7,16-trihydroxy-, ion(1-), (3α,5β,7α,16α)- [ACD/Index Name]
3α,7α,16α-trihydroxy-5β-cholan-24-oate
Avicholate
avicholic acid anion
avicholic acid(1-)
  • Miscellaneous

    • Chemical Class:

      A bile acid anion that is the conjugate base of avicholic acid obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:178192

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

Density:
Boiling Point: 583.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.2±6.0 kJ/mol
Flash Point: 321.0±22.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 4.97
ACD/KOC (pH 5.5): 64.00
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.02
Polar Surface Area: 101 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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