ChemSpider 2D Image | (6alpha)-6-(~2~H_3_)Methyl-3,20-dioxopregn-4-en-17-yl acetate | C24H31D3O4

(6α)-6-(2H3)Methyl-3,20-dioxopregn-4-en-17-yl acetate

  • Molecular FormulaC24H31D3O4
  • Average mass389.543 Da
  • Monoisotopic mass389.264526 Da
  • ChemSpider ID76920425

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6α)-6-(2H3)Methyl-3,20-dioxopregn-4-en-17-yl acetate [ACD/IUPAC Name]
(6α)-6-(2H3)Methyl-3,20-dioxopregn-4-en-17-yl-acetat [German] [ACD/IUPAC Name]
162462-70-6 [RN]
Acétate de (6α)-6-(2H3)méthyl-3,20-dioxoprégn-4-én-17-yle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-(methyl-d3)-, (6α)- [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: 496.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 213.2±28.8 °C
Index of Refraction: 1.539
Molar Refractivity: 106.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 691.50
ACD/KOC (pH 5.5): 3752.52
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 691.50
ACD/KOC (pH 7.4): 3752.52
Polar Surface Area: 60 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 340.8±5.0 cm3

Click to predict properties on the Chemicalize site


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