ChemSpider 2D Image | 2?,6-dimethyl-3,20-dioxopregna-4,6-dien-17-yl acetate | C25H34O4

2?,6-dimethyl-3,20-dioxopregna-4,6-dien-17-yl acetate

  • Molecular FormulaC25H34O4
  • Average mass398.535 Da
  • Monoisotopic mass398.245697 Da
  • ChemSpider ID23254710

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2α)-2,6-Dimethyl-3,20-dioxopregna-4,6-dien-17-yl acetate [ACD/IUPAC Name]
(2α)-2,6-Dimethyl-3,20-dioxopregna-4,6-dien-17-yl-acetat [German] [ACD/IUPAC Name]
2?,6-dimethyl-3,20-dioxopregna-4,6-dien-17-yl acetate
907193-65-1 [RN]
Acétate de (2α)-2,6-diméthyl-3,20-dioxoprégna-4,6-dién-17-yle [French] [ACD/IUPAC Name]
Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-2,6-dimethyl-, (2α)- [ACD/Index Name]
(1R,3aS,3bR,8R,9aR,9bS,11aS)-1-acetyl-5,8,9a,11a-tetramethyl-7-oxo-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
(1R,3aS,3bR,8R,9aR,9bS,11aS)-1-acetyl-5,8,9a,11a-tetramethyl-7-oxo-2H,3H,3aH,3bH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl acetate
(2?)-Methyl Megestrol Acetate
(2??)-Methyl megestrol acetate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

911S0BD9BB [DBID]
UNII:911S0BD9BB [DBID]
UNII-911S0BD9BB [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 512.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.4±3.0 kJ/mol
    Flash Point: 219.9±30.2 °C
    Index of Refraction: 1.547
    Molar Refractivity: 111.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.32
    ACD/LogD (pH 5.5): 4.22
    ACD/BCF (pH 5.5): 950.45
    ACD/KOC (pH 5.5): 4711.96
    ACD/LogD (pH 7.4): 4.22
    ACD/BCF (pH 7.4): 950.45
    ACD/KOC (pH 7.4): 4711.96
    Polar Surface Area: 60 Å2
    Polarizability: 44.0±0.5 10-24cm3
    Surface Tension: 43.2±5.0 dyne/cm
    Molar Volume: 350.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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