ChemSpider 2D Image | (3beta,5beta)-3-Hydroxy-7-oxocholan-24-oate | C24H37O4

(3β,5β)-3-Hydroxy-7-oxocholan-24-oate

  • Molecular FormulaC24H37O4
  • Average mass389.549 Da
  • Monoisotopic mass389.269745 Da
  • ChemSpider ID34448485

  • Charge - Charge

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5β)-3-Hydroxy-7-oxocholan-24-oat [German] [ACD/IUPAC Name]
(3β,5β)-3-Hydroxy-7-oxocholan-24-oate [ACD/IUPAC Name]
(3β,5β)-3-Hydroxy-7-oxocholan-24-oate [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3-hydroxy-7-oxo-, ion(1-), (3β,5β)- [ACD/Index Name]
3β-hydroxy-7-oxo-5β-cholan-24-oate
  • Miscellaneous

    • Chemical Class:

      A steroid acid anion that is the conjugate base of 3beta-hydroxy-7-oxo-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:78603
      A steroid acid anion that is the conjugate base of 3beta-hydroxy-7-oxo-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7; .3. ChEBI CHEBI:78603

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

Density:
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:
Molar Refractivity:
#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: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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