ChemSpider 2D Image | 3-dehydro-4-carboxyzymosterol | C28H42O3

3-dehydro-4-carboxyzymosterol

  • Molecular FormulaC28H42O3
  • Average mass426.631 Da
  • Monoisotopic mass426.313385 Da
  • ChemSpider ID28184734

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(5α)-3-Oxocholesta-8,24-dien-4-carbonsäure [German] [ACD/IUPAC Name]
(5α)-3-Oxocholesta-8,24-diene-4-carboxylic acid [ACD/IUPAC Name]
3-dehydro-4-carboxyzymosterol
Acide (5α)-3-oxocholesta-8,24-diène-4-carboxylique [French] [ACD/IUPAC Name]
Cholesta-8,24-diene-4-carboxylic acid, 3-oxo-, (5α)- [ACD/Index Name]
(5α)-4-carboxycholesta-8,24-dien-3-one
3-oxo-5α-cholesta-8,24-diene-4-carboxylic acid
4-carboxy-5α-cholesta-8(9),24-dien-3-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 554.5±50.0 °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: 303.2±26.6 °C
Index of Refraction: 1.545
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.26
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 1823.39
ACD/KOC (pH 5.5): 1974.16
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 58.42
ACD/KOC (pH 7.4): 63.25
Polar Surface Area: 54 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 393.0±5.0 cm3

Click to predict properties on the Chemicalize site


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