ChemSpider 2D Image | N-Acetyl-S-(4-ethoxy-4-oxo-2-butanyl)-L-cysteine | C11H19NO5S

N-Acetyl-S-(4-ethoxy-4-oxo-2-butanyl)-L-cysteine

  • Molecular FormulaC11H19NO5S
  • Average mass277.337 Da
  • Monoisotopic mass277.098389 Da
  • ChemSpider ID48058803

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

45215-04-1 [RN]
Butanoic acid, 3-[[(2R)-2-(acetylamino)-2-carboxyethyl]thio]-, 1-ethyl ester [ACD/Index Name]
L-Cysteine, N-acetyl-S-(3-ethoxy-1-methyl-3-oxopropyl)-
N-Acetyl-S-(4-ethoxy-4-oxo-2-butanyl)-L-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-(4-ethoxy-4-oxo-2-butanyl)-L-cysteine [ACD/IUPAC Name]
N-Acétyl-S-(4-éthoxy-4-oxo-2-butanyl)-L-cystéine [French] [ACD/IUPAC Name]
(2R)-2-acetamido-3-(4-ethoxy-4-oxobutan-2-yl)sulfanylpropanoic acid
N-ACETYL-D3-S-(2-ETHOXYCARBONYLETHYL-1-METHYL)-L-CYSTEINE
N-Acetyl-S-(2-ethoxycarbonylethyl-1-methyl)-L-cysteine-d3

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 503.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 84.5±6.0 kJ/mol
    Flash Point: 258.1±30.1 °C
    Index of Refraction: 1.505
    Molar Refractivity: 67.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 0.81
    ACD/LogD (pH 5.5): -1.71
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 118 Å2
    Polarizability: 26.9±0.5 10-24cm3
    Surface Tension: 45.6±3.0 dyne/cm
    Molar Volume: 228.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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