ChemSpider 2D Image | N-{4-[(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}isoleucine | C31H43NO9

N-{4-[(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}isoleucine

  • Molecular FormulaC31H43NO9
  • Average mass573.674 Da
  • Monoisotopic mass573.293762 Da
  • ChemSpider ID17467505

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

Isoleucine, N-[4-[(17-hydroxy-3,11,20-trioxopregn-4-en-21-yl)oxy]-1,4-dioxobutyl]- [ACD/Index Name]
N-{4-[(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}isoleucin [German] [ACD/IUPAC Name]
N-{4-[(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}isoleucine [ACD/IUPAC Name]
N-{4-[(17-Hydroxy-3,11,20-trioxoprégn-4-én-21-yl)oxy]-4-oxobutanoyl}isoleucine [French] [ACD/IUPAC 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: 808.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±6.5 mmHg at 25°C
    Enthalpy of Vaporization: 133.9±6.0 kJ/mol
    Flash Point: 443.0±34.3 °C
    Index of Refraction: 1.569
    Molar Refractivity: 146.2±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 2.96
    ACD/LogD (pH 5.5): -0.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.30
    ACD/LogD (pH 7.4): -1.41
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 164 Å2
    Polarizability: 58.0±0.5 10-24cm3
    Surface Tension: 57.7±5.0 dyne/cm
    Molar Volume: 446.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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