ChemSpider 2D Image | (7alpha,8xi)-7-Hydroxy-3-oxocholest-4-en-26-oate | C27H41O4

(7α,8ξ)-7-Hydroxy-3-oxocholest-4-en-26-oate

  • Molecular FormulaC27H41O4
  • Average mass429.613 Da
  • Monoisotopic mass429.301025 Da
  • ChemSpider ID58827274

  • Charge - Charge

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(7α,8ξ)-7-Hydroxy-3-oxocholest-4-en-26-oat [German] [ACD/IUPAC Name]
(7α,8ξ)-7-Hydroxy-3-oxocholest-4-en-26-oate [ACD/IUPAC Name]
(7α,8ξ)-7-Hydroxy-3-oxocholest-4-én-26-oate [French] [ACD/IUPAC Name]
Cholest-4-en-26-oic acid, 7-hydroxy-3-oxo-, ion(1-), (7α,8ξ)- [ACD/Index Name]
7α-Hydroxy-3-oxo-4-cholestenoate
7α-hydroxy-3-oxocholest-4-en-26-oate
  • Miscellaneous

    • Chemical Class:

      A steroid acid anion that is the conjugate base of 7alpha-hydroxy-3-oxo-4-cholestenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3 ChEBI CHEBI:133803

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

Density:
Boiling Point: 590.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.1±6.0 kJ/mol
Flash Point: 324.9±21.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 314.59
ACD/KOC (pH 5.5): 1288.37
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 5.08
ACD/KOC (pH 7.4): 20.80
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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