ChemSpider 2D Image | N-{4-[(17-Hydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}valine | C30H43NO8

N-{4-[(17-Hydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}valine

  • Molecular FormulaC30H43NO8
  • Average mass545.664 Da
  • Monoisotopic mass545.298889 Da
  • ChemSpider ID17468067

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

N-{4-[(17-Hydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}valin [German] [ACD/IUPAC Name]
N-{4-[(17-Hydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}valine [ACD/IUPAC Name]
N-{4-[(17-Hydroxy-3,20-dioxoprégn-4-én-21-yl)oxy]-4-oxobutanoyl}valine [French] [ACD/IUPAC Name]
Valine, N-[4-[(17-hydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-1,4-dioxobutyl]- [ACD/Index Name]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 767.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.9 mmHg at 25°C
    Enthalpy of Vaporization: 127.4±6.0 kJ/mol
    Flash Point: 417.7±32.9 °C
    Index of Refraction: 1.566
    Molar Refractivity: 141.4±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 3.73
    ACD/LogD (pH 5.5): 0.83
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.31
    ACD/LogD (pH 7.4): -0.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 147 Å2
    Polarizability: 56.1±0.5 10-24cm3
    Surface Tension: 55.8±5.0 dyne/cm
    Molar Volume: 433.6±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement