ChemSpider 2D Image | 20-Oxopregna-3,5-diene-3,17-diyl diacetate | C25H34O5

20-Oxopregna-3,5-diene-3,17-diyl diacetate

  • Molecular FormulaC25H34O5
  • Average mass414.534 Da
  • Monoisotopic mass414.240631 Da
  • ChemSpider ID57565154

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

20-Oxopregna-3,5-dien-3,17-diyl-diacetat [German] [ACD/IUPAC Name]
20-Oxopregna-3,5-diene-3,17-diyl diacetate [ACD/IUPAC Name]
Diacétate de 20-oxoprégna-3,5-diène-3,17-diyle [French] [ACD/IUPAC Name]
Pregna-3,5-dien-20-one, 3,17-bis(acetyloxy)- [ACD/Index Name]
(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl diacetate
3,17-DIACETYLOXYPREGNA-3,5-DIEN-20-ONE
3,17-Dihydroxy-pregna-3,5-dien-20-one Diacetate
4954-07-8 [RN]
pregna-3,5-dien-20-one, 3,17-dihydroxy-, diacetate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 532.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.8±3.0 kJ/mol
    Flash Point: 228.2±30.2 °C
    Index of Refraction: 1.547
    Molar Refractivity: 112.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.04
    ACD/LogD (pH 5.5): 4.41
    ACD/BCF (pH 5.5): 1323.82
    ACD/KOC (pH 5.5): 5973.15
    ACD/LogD (pH 7.4): 4.41
    ACD/BCF (pH 7.4): 1323.82
    ACD/KOC (pH 7.4): 5973.15
    Polar Surface Area: 70 Å2
    Polarizability: 44.7±0.5 10-24cm3
    Surface Tension: 44.9±5.0 dyne/cm
    Molar Volume: 355.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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