ChemSpider 2D Image | (3beta,4alpha,5alpha)-3-Hydroxycholest-8-ene-4-carboxylate | C28H45O3

(3β,4α,5α)-3-Hydroxycholest-8-ene-4-carboxylate

  • Molecular FormulaC28H45O3
  • Average mass429.656 Da
  • Monoisotopic mass429.337433 Da
  • ChemSpider ID58145522

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,4α,5α)-3-Hydroxycholest-8-en-4-carboxylat [German] [ACD/IUPAC Name]
(3β,4α,5α)-3-Hydroxycholest-8-ene-4-carboxylate [ACD/IUPAC Name]
(3β,4α,5α)-3-Hydroxycholest-8-ène-4-carboxylate [French] [ACD/IUPAC Name]
Cholest-8-ene-4-carboxylic acid, 3-hydroxy-, ion(1-), (3β,4α,5α)- [ACD/Index Name]
3β-hydroxy-5α-cholest-8-ene-4α-carboxylate
4&α
4α-carboxy-5α-cholest-8-en-3β-ol(1-)
4α-carboxy-5α-cholest-8-ene-3β-ol
-carboxy-5&α
-cholesta-8-en-3&β
  • Miscellaneous

    • Chemical Class:

      A steroid acid anion that is the conjugate base of 3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylic acid, obtained by deprotonation of the carbox; y group; major species at pH 7.3. ChEBI CHEBI:87055
      A steroid acid anion that is the conjugate base of 3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:87055

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

Density:
Boiling Point: 552.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.8±6.0 kJ/mol
Flash Point: 302.2±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.77
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 25948.66
ACD/KOC (pH 5.5): 21767.46
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 431.01
ACD/KOC (pH 7.4): 361.56
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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