ChemSpider 2D Image | 3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylic acid | C28H46O3

3β-hydroxy-5α-cholest-8-ene-4α-carboxylic acid

  • Molecular FormulaC28H46O3
  • Average mass430.663 Da
  • Monoisotopic mass430.344696 Da
  • ChemSpider ID24850082

  • 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-carbonsäure [German] [ACD/IUPAC Name]
(3β,4α,5α)-3-Hydroxycholest-8-ene-4-carboxylic acid [ACD/IUPAC Name]
3β-hydroxy-5α-cholest-8-ene-4α-carboxylic acid
Acide (3β,4α,5α)-3-hydroxycholest-8-ène-4-carboxylique [French] [ACD/IUPAC Name]
Cholest-8-ene-4-carboxylic acid, 3-hydroxy-, (3β,4α,5α)- [ACD/Index Name]
(2S,5S,6S,7S,11R,14R,15R)-5-hydroxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-1(10)-ene-6-carboxylic acid
4??-carboxy-5??-cholest-8-en-3??-ol
4??-carboxy-5??-cholesta-8-en-3??-ol
4a-Carboxy-5a-cholest-8-en-3b-ol
4α-carboxy-5α-cholest-8-en-3β-ol
More...

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

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

Density: 1.1±0.1 g/cm3
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: 1.540
Molar Refractivity: 126.0±0.4 cm3
#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: 58 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 401.5±5.0 cm3

Click to predict properties on the Chemicalize site


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