ChemSpider 2D Image | S-Allyl-N-(~2~H_3_)ethanoyl-L-cysteine | C8H10D3NO3S

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

  • Molecular FormulaC8H10D3NO3S
  • Average mass206.277 Da
  • Monoisotopic mass206.080444 Da
  • ChemSpider ID35467402

  • 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-2-propen-1-yl- [ACD/Index Name]
S-Allyl-N-(2H3)ethanoyl-L-cystein [German] [ACD/IUPAC Name]
S-Allyl-N-(2H3)ethanoyl-L-cysteine [ACD/IUPAC Name]
S-Allyl-N-(2H3)éthanoyl-L-cystéine [French] [ACD/IUPAC Name]
1331907-55-1 [RN]
N-(2H3)Ethanoyl-S-prop-2-en-1-yl-L-cysteine
N-(Acetyl-d3)-S-allyl-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: 444.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.9±6.0 kJ/mol
    Flash Point: 222.3±28.7 °C
    Index of Refraction: 1.521
    Molar Refractivity: 52.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.71
    ACD/LogD (pH 5.5): -1.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.91
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 45.2±3.0 dyne/cm
    Molar Volume: 170.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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