ChemSpider 2D Image | (3beta,9beta)-3-Hydroxy-9,19-cyclolanost-24-en-28-oate | C30H47O3

(3β,9β)-3-Hydroxy-9,19-cyclolanost-24-en-28-oate

  • Molecular FormulaC30H47O3
  • Average mass455.693 Da
  • Monoisotopic mass455.353058 Da
  • ChemSpider ID128919918

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,9β)-3-Hydroxy-9,19-cyclolanost-24-en-28-oat [German] [ACD/IUPAC Name]
(3β,9β)-3-Hydroxy-9,19-cyclolanost-24-en-28-oate [ACD/IUPAC Name]
(3β,9β)-3-Hydroxy-9,19-cyclolanost-24-én-28-oate [French] [ACD/IUPAC Name]
9,19-Cyclolanost-24-en-28-oic acid, 3-hydroxy-, ion(1-), (3β,9β)- [ACD/Index Name]
4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-cholest-24-en-3β-ol
4α-carboxylato-4β,14α-dimethyl-9β,19-cyclo-5α-cholest-24-en-3β-ol
  • Miscellaneous

    • Chemical Class:

      A steroid acid anion resulting from the deprotonation of the carboxy group of 3beta-hydroxy-9beta-9,19-cyclolanost-24-en-28-oic acid. The major species at pH 7.3. ChEBI CHEBI:142846

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

Density:
Boiling Point: 568.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 311.8±21.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.10
ACD/LogD (pH 5.5): 7.09
ACD/BCF (pH 5.5): 75110.14
ACD/KOC (pH 5.5): 49600.50
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 1211.63
ACD/KOC (pH 7.4): 800.12
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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