ChemSpider 2D Image | N-{4-[(17-Acetoxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}isoleucine | C33H47NO9

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

  • Molecular FormulaC33H47NO9
  • Average mass601.728 Da
  • Monoisotopic mass601.325073 Da
  • ChemSpider ID17467469

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

Isoleucine, N-[4-[[17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy]-1,4-dioxobutyl]- [ACD/Index Name]
N-{4-[(17-Acetoxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}isoleucin [German] [ACD/IUPAC Name]
N-{4-[(17-Acetoxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoyl}isoleucine [ACD/IUPAC Name]
N-{4-[(17-Acétoxy-3,20-dioxoprégn-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: 1.2±0.1 g/cm3
    Boiling Point: 772.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.7 mmHg at 25°C
    Enthalpy of Vaporization: 122.2±6.0 kJ/mol
    Flash Point: 420.8±32.9 °C
    Index of Refraction: 1.552
    Molar Refractivity: 155.6±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 4.84
    ACD/LogD (pH 5.5): 1.67
    ACD/BCF (pH 5.5): 3.21
    ACD/KOC (pH 5.5): 18.97
    ACD/LogD (pH 7.4): 0.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 153 Å2
    Polarizability: 61.7±0.5 10-24cm3
    Surface Tension: 52.9±5.0 dyne/cm
    Molar Volume: 487.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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