ChemSpider 2D Image | S-(4-Acetoxy-3-oxobutyl)-N-acetyl-L-cysteine | C11H17NO6S

S-(4-Acetoxy-3-oxobutyl)-N-acetyl-L-cysteine

  • Molecular FormulaC11H17NO6S
  • Average mass291.321 Da
  • Monoisotopic mass291.077667 Da
  • ChemSpider ID29786706

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Cysteine, N-acetyl-S-[4-(acetyloxy)-3-oxobutyl]- [ACD/Index Name]
S-(4-Acetoxy-3-oxobutyl)-N-acetyl-L-cystein [German] [ACD/IUPAC Name]
S-(4-Acetoxy-3-oxobutyl)-N-acetyl-L-cysteine [ACD/IUPAC Name]
S-(4-Acétoxy-3-oxobutyl)-N-acétyl-L-cystéine [French] [ACD/IUPAC Name]
(2R)-2-acetamido-3-(4-acetyloxy-3-oxobutyl)sulfanylpropanoic acid
(R)-2-acetamido-3-((4-acetoxy-3-oxobutyl)thio)propanoic acid
144889-52-1 [RN]
1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone
N-Acetyl-S-[4-(acetyloxy)-3-oxobutyl]-L-cysteine

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 555.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 91.5±6.0 kJ/mol
    Flash Point: 289.9±30.1 °C
    Index of Refraction: 1.514
    Molar Refractivity: 68.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 0.35
    ACD/LogD (pH 5.5): -2.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.79
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 135 Å2
    Polarizability: 26.9±0.5 10-24cm3
    Surface Tension: 50.8±3.0 dyne/cm
    Molar Volume: 225.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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