ChemSpider 2D Image | (7alpha,8xi)-7-Hydroxy-3-oxochol-4-en-24-oate | C24H35O4

(7α,8ξ)-7-Hydroxy-3-oxochol-4-en-24-oate

  • Molecular FormulaC24H35O4
  • Average mass387.533 Da
  • Monoisotopic mass387.254089 Da
  • ChemSpider ID58145629

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(7α,8ξ)-7-Hydroxy-3-oxochol-4-en-24-oat [German] [ACD/IUPAC Name]
(7α,8ξ)-7-Hydroxy-3-oxochol-4-en-24-oate [ACD/IUPAC Name]
(7α,8ξ)-7-Hydroxy-3-oxochol-4-én-24-oate [French] [ACD/IUPAC Name]
Chol-4-en-24-oic acid, 7-hydroxy-3-oxo-, ion(1-), (7α,8ξ)- [ACD/Index Name]
7α-hydroxy-3-oxochol-4-en-24-oate
  • Miscellaneous

    • Chemical Class:

      A bile acid anion that is the conjugate base of 7alpha-hydroxy-3-oxochol-4-en-24-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:87747

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

Density:
Boiling Point: 565.9±33.0 °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: 310.1±21.9 °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: 4.06
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 48.38
ACD/KOC (pH 5.5): 327.95
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.24
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

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