ChemSpider 2D Image | 6-Methyl-3,20-dioxo(2,2-~2~H_2_)pregna-4,6-dien-17-yl (~2~H_3_)acetate | C24H27D5O4

6-Methyl-3,20-dioxo(2,2-2H2)pregna-4,6-dien-17-yl (2H3)acetate

  • Molecular FormulaC24H27D5O4
  • Average mass389.539 Da
  • Monoisotopic mass389.261444 Da
  • ChemSpider ID58784068

  • 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

(2H3)Acétate de 6-méthyl-3,20-dioxo(2,2-2H2)prégna-4,6-dién-17-yle [French] [ACD/IUPAC Name]
6-Methyl-3,20-dioxo(2,2-2H2)pregna-4,6-dien-17-yl (2H3)acetate [ACD/IUPAC Name]
6-Methyl-3,20-dioxo(2,2-2H2)pregna-4,6-dien-17-yl-(2H3)acetat [German] [ACD/IUPAC Name]
Acetic-d3 acid, 6-methyl-3,20-dioxopregna-4,6-dien-17-yl-2,2-d2 ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 507.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 218.5±30.2 °C
Index of Refraction: 1.551
Molar Refractivity: 106.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 477.41
ACD/KOC (pH 5.5): 2878.41
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 477.41
ACD/KOC (pH 7.4): 2878.41
Polar Surface Area: 60 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 333.4±5.0 cm3

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