ChemSpider 2D Image | N-[(2,5-Dimethoxyphenyl)sulfonyl]valine | C13H19NO6S

N-[(2,5-Dimethoxyphenyl)sulfonyl]valine

  • Molecular FormulaC13H19NO6S
  • Average mass317.358 Da
  • Monoisotopic mass317.093292 Da
  • ChemSpider ID21797212

More details:

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

N-[(2,5-Dimethoxyphenyl)sulfonyl]valin [German] [ACD/IUPAC Name]
N-[(2,5-Dimethoxyphenyl)sulfonyl]valine [ACD/IUPAC Name]
N-[(2,5-Diméthoxyphényl)sulfonyl]valine [French] [ACD/IUPAC Name]
Valine, N-[(2,5-dimethoxyphenyl)sulfonyl]- [ACD/Index Name]
2-(2,5-Dimethoxy-benzenesulfonylamino)-3-methyl-butyric acid
2-(2,5-dimethoxyphenylsulfonamido)-3-methylbutanoic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 514.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.8±3.0 kJ/mol
    Flash Point: 265.2±32.9 °C
    Index of Refraction: 1.527
    Molar Refractivity: 76.7±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.16
    ACD/LogD (pH 5.5): -1.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 110 Å2
    Polarizability: 30.4±0.5 10-24cm3
    Surface Tension: 45.3±3.0 dyne/cm
    Molar Volume: 249.4±3.0 cm3

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