ChemSpider 2D Image | zhankuic acid A methyl ester | C30H42O5

zhankuic acid A methyl ester

  • Molecular FormulaC30H42O5
  • Average mass482.651 Da
  • Monoisotopic mass482.303223 Da
  • ChemSpider ID26380717

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(4α,5α)-4-Méthyl-3,7,11-trioxoergosta-8,24(28)-dién-26-oate de méthyle [French] [ACD/IUPAC Name]
Ergosta-8,24(28)-dien-26-oic acid, 4-methyl-3,7,11-trioxo-, methyl ester, (4α,5α)- [ACD/Index Name]
Methyl (4α,5α)-4-methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-oate [ACD/IUPAC Name]
Methyl-(4α,5α)-4-methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-oat [German] [ACD/IUPAC Name]
zhankuic acid A methyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 590.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 248.1±30.2 °C
Index of Refraction: 1.535
Molar Refractivity: 133.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3054.06
ACD/KOC (pH 5.5): 10866.02
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3054.06
ACD/KOC (pH 7.4): 10866.02
Polar Surface Area: 78 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 430.1±5.0 cm3

Click to predict properties on the Chemicalize site


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