ChemSpider 2D Image | N-(4-Oxo-4-{[(5alpha)-3-oxoandrostan-17-yl]oxy}butanoyl)methionine | C28H43NO6S

N-(4-Oxo-4-{[(5α)-3-oxoandrostan-17-yl]oxy}butanoyl)methionine

  • Molecular FormulaC28H43NO6S
  • Average mass521.709 Da
  • Monoisotopic mass521.281128 Da
  • ChemSpider ID17468087

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

Methionine, N-[1,4-dioxo-4-[[(5α)-3-oxoandrostan-17-yl]oxy]butyl]- [ACD/Index Name]
N-(4-Oxo-4-{[(5α)-3-oxoandrostan-17-yl]oxy}butanoyl)methionin [German] [ACD/IUPAC Name]
N-(4-Oxo-4-{[(5α)-3-oxoandrostan-17-yl]oxy}butanoyl)methionine [ACD/IUPAC Name]
N-(4-Oxo-4-{[(5α)-3-oxoandrostan-17-yl]oxy}butanoyl)méthionine [French] [ACD/IUPAC Name]
2-(4-(((5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy)-4-oxobutanamido)-4-(methylthio)butanoic acid

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 717.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.0 mmHg at 25°C
    Enthalpy of Vaporization: 114.2±6.0 kJ/mol
    Flash Point: 387.9±32.9 °C
    Index of Refraction: 1.562
    Molar Refractivity: 138.8±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 4.55
    ACD/LogD (pH 5.5): 1.62
    ACD/BCF (pH 5.5): 2.70
    ACD/KOC (pH 5.5): 14.93
    ACD/LogD (pH 7.4): 0.36
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 135 Å2
    Polarizability: 55.0±0.5 10-24cm3
    Surface Tension: 52.6±5.0 dyne/cm
    Molar Volume: 428.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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