ChemSpider 2D Image | (11beta)-11-(4-Aminophenyl)-17-hydroxy-19-norpregna-4,9-diene-3,20-dione | C26H31NO3

(11β)-11-(4-Aminophenyl)-17-hydroxy-19-norpregna-4,9-diene-3,20-dione

  • Molecular FormulaC26H31NO3
  • Average mass405.529 Da
  • Monoisotopic mass405.230408 Da
  • ChemSpider ID23977179

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(11β)-11-(4-Aminophenyl)-17-hydroxy-19-norpregna-4,9-dien-3,20-dion [German] [ACD/IUPAC Name]
(11β)-11-(4-Aminophenyl)-17-hydroxy-19-norpregna-4,9-diene-3,20-dione [ACD/IUPAC Name]
(11β)-11-(4-Aminophényl)-17-hydroxy-19-norprégna-4,9-diène-3,20-dione [French] [ACD/IUPAC Name]
Estra-4,9-dien-3-one, 17-acetyl-11-(4-aminophenyl)-17-hydroxy-, (11β,17α)- [ACD/Index Name]
(8S,11R,13S,14S,17R)-17-acetyl-11-(4-aminophenyl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
244206-52-8 [RN]
N,N-Didesmethyl Ulipristal
N,N-DidesmethylUlipristal

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 643.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.8±3.0 kJ/mol
    Flash Point: 343.2±31.5 °C
    Index of Refraction: 1.632
    Molar Refractivity: 115.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.47
    ACD/LogD (pH 5.5): 2.92
    ACD/BCF (pH 5.5): 92.88
    ACD/KOC (pH 5.5): 837.63
    ACD/LogD (pH 7.4): 3.02
    ACD/BCF (pH 7.4): 115.42
    ACD/KOC (pH 7.4): 1040.89
    Polar Surface Area: 80 Å2
    Polarizability: 45.9±0.5 10-24cm3
    Surface Tension: 57.4±5.0 dyne/cm
    Molar Volume: 324.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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