ChemSpider 2D Image | (17beta)-6-Oxoestra-1,3,5(10)-triene-3,17-diyl dipentanoate | C28H38O5

(17β)-6-Oxoestra-1,3,5(10)-triene-3,17-diyl dipentanoate

  • Molecular FormulaC28H38O5
  • Average mass454.598 Da
  • Monoisotopic mass454.271912 Da
  • ChemSpider ID48063740

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-6-Oxoestra-1,3,5(10)-trien-3,17-diyl-dipentanoat [German] [ACD/IUPAC Name]
(17β)-6-Oxoestra-1,3,5(10)-triene-3,17-diyl dipentanoate [ACD/IUPAC Name]
1350468-78-8 [RN]
Dipentanoate de (17β)-6-oxoestra-1,3,5(10)-triène-3,17-diyle [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-trien-6-one, 3,17-bis[(1-oxopentyl)oxy]-, (17β)-
Pentanoic acid, (17β)-6-oxoestra-1,3,5(10)-triene-3,17-diyl ester [ACD/Index Name]
(17??)-3,17-Bis[(1-oxopentyl)oxy]-estra-1,3,5(10)-trien-6-one
(17β)-3,17-Bis[(1-oxopentyl)oxy]-estra-1,3,5(10)-trien-6-one
(17β)-3,17-bis[(1-oxopentyl)oxy]-estra-1,3,5(10)-trien-6-one
(8R,9S,13S,14S,17S)-13-methyl-6-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diyl dipentanoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 556.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.8±3.0 kJ/mol
    Flash Point: 235.7±30.2 °C
    Index of Refraction: 1.549
    Molar Refractivity: 126.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 7.00
    ACD/LogD (pH 5.5): 6.20
    ACD/BCF (pH 5.5): 30574.59
    ACD/KOC (pH 5.5): 56520.42
    ACD/LogD (pH 7.4): 6.20
    ACD/BCF (pH 7.4): 30574.59
    ACD/KOC (pH 7.4): 56520.42
    Polar Surface Area: 70 Å2
    Polarizability: 50.0±0.5 10-24cm3
    Surface Tension: 46.6±5.0 dyne/cm
    Molar Volume: 397.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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