ChemSpider 2D Image | 3-Oxocholest-4-en-26-oate | C27H41O3

3-Oxocholest-4-en-26-oate

  • Molecular FormulaC27H41O3
  • Average mass413.613 Da
  • Monoisotopic mass413.306122 Da
  • ChemSpider ID31150549

  • Charge - Charge

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

3-Oxocholest-4-en-26-oat [German] [ACD/IUPAC Name]
3-Oxocholest-4-en-26-oate [ACD/IUPAC Name]
3-Oxocholest-4-én-26-oate [French] [ACD/IUPAC Name]
Cholest-4-en-26-oic acid, 3-oxo-, ion(1-) [ACD/Index Name]
δ(4)-dafachronate
  • Miscellaneous

    • Chemical Class:

      A steroid acid anion that is the conjugate base of Delta(4)-dafachronic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:78358
      A steroid acid anion that is the conjugate base of Delta4-dafachronic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:78358

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

Density:
Boiling Point: 554.6±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 91.4±6.0 kJ/mol
Flash Point: 303.3±18.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.26
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 4314.89
ACD/KOC (pH 5.5): 8396.73
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 69.67
ACD/KOC (pH 7.4): 135.57
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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