ChemSpider 2D Image | 6-Methyl-16-methylene-3,20-dioxo(2,2-~2~H_2_)pregna-4,6-dien-17-yl acetate | C25H30D2O4

6-Methyl-16-methylene-3,20-dioxo(2,2-2H2)pregna-4,6-dien-17-yl acetate

  • Molecular FormulaC25H30D2O4
  • Average mass398.531 Da
  • Monoisotopic mass398.242615 Da
  • ChemSpider ID115009085

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

6-Methyl-16-methylen-3,20-dioxo(2,2-2H2)pregna-4,6-dien-17-yl-acetat [German] [ACD/IUPAC Name]
6-Methyl-16-methylene-3,20-dioxo(2,2-2H2)pregna-4,6-dien-17-yl acetate [ACD/IUPAC Name]
Acétate de 6-méthyl-16-méthylène-3,20-dioxo(2,2-2H2)prégna-4,6-dién-17-yle [French] [ACD/IUPAC Name]
Pregna-4,6-diene-3,20-dione-2,2-d2, 17-(acetyloxy)-6-methyl-16-methylene- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 516.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 221.7±30.2 °C
Index of Refraction: 1.555
Molar Refractivity: 110.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 781.28
ACD/KOC (pH 5.5): 4095.18
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 781.28
ACD/KOC (pH 7.4): 4095.18
Polar Surface Area: 60 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 344.7±5.0 cm3

Click to predict properties on the Chemicalize site


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