ChemSpider 2D Image | N-Acetyl-S-(~2~H_5_)phenyl-D-cysteine | C11H8D5NO3S

N-Acetyl-S-(2H5)phenyl-D-cysteine

  • Molecular FormulaC11H8D5NO3S
  • Average mass244.322 Da
  • Monoisotopic mass244.093002 Da
  • ChemSpider ID48063026

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

D-Cysteine, N-acetyl-S-phenyl-d5- [ACD/Index Name]
N-Acetyl-S-(2H5)phenyl-D-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-(2H5)phenyl-D-cysteine [ACD/IUPAC Name]
N-Acétyl-S-(2H5)phényl-D-cystéine [French] [ACD/IUPAC Name]
(2S)-2-acetamido-3-(2,3,4,5,6-pentadeuteriophenyl)sulfanylpropanoic acid
1331906-27-4 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 494.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.2±3.0 kJ/mol
    Flash Point: 252.9±27.3 °C
    Index of Refraction: 1.595
    Molar Refractivity: 63.3±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.48
    ACD/LogD (pH 5.5): -1.27
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.41
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 56.0±5.0 dyne/cm
    Molar Volume: 186.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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