ChemSpider 2D Image | S-Benzyl-N-(~2~H_3_)ethanoyl-L-cysteine | C12H12D3NO3S

S-Benzyl-N-(2H3)ethanoyl-L-cysteine

  • Molecular FormulaC12H12D3NO3S
  • Average mass256.336 Da
  • Monoisotopic mass256.096100 Da
  • ChemSpider ID23976847

  • 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

L-Cysteine, N-(1-oxoethyl-2,2,2-d3)-S-(phenylmethyl)- [ACD/Index Name]
S-Benzyl-N-(2H3)ethanoyl-L-cystein [German] [ACD/IUPAC Name]
S-Benzyl-N-(2H3)ethanoyl-L-cysteine [ACD/IUPAC Name]
S-Benzyl-N-(2H3)éthanoyl-L-cystéine [French] [ACD/IUPAC Name]
(2R)-3-benzylsulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
201404-15-1 [RN]
L-Cysteine, N-(acetyl-d3)-S-(phenylmethyl)- (9CI)
N-(Acetyl-d3)-S-benzyl-L-cysteine

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 506.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.7±3.0 kJ/mol
    Flash Point: 259.9±30.1 °C
    Index of Refraction: 1.579
    Molar Refractivity: 67.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.29
    ACD/LogD (pH 5.5): -0.82
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 52.1±3.0 dyne/cm
    Molar Volume: 203.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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