ChemSpider 2D Image | Ethyl (4alpha,5alpha)-4-methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-oate | C31H44O5

Ethyl (4α,5α)-4-methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-oate

  • Molecular FormulaC31H44O5
  • Average mass496.678 Da
  • Monoisotopic mass496.318878 Da
  • ChemSpider ID59005586
  • 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 d'éthyle [French] [ACD/IUPAC Name]
Ergosta-8,24(28)-dien-26-oic acid, 4-methyl-3,7,11-trioxo-, ethyl ester, (4α,5α)- [ACD/Index Name]
Ethyl (4α,5α)-4-methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-oate [ACD/IUPAC Name]
Ethyl-(4α,5α)-4-methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-oat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 601.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 251.3±31.5 °C
Index of Refraction: 1.533
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6393.01
ACD/KOC (pH 5.5): 18438.08
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6393.01
ACD/KOC (pH 7.4): 18438.08
Polar Surface Area: 78 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 446.2±5.0 cm3

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