ChemSpider 2D Image | S-(2-Cyanoethyl)-N-(~2~H_3_)ethanoyl-L-cysteine | C8H9D3N2O3S

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

  • Molecular FormulaC8H9D3N2O3S
  • Average mass219.276 Da
  • Monoisotopic mass219.075699 Da
  • ChemSpider ID48059774

  • 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, S-(2-cyanoethyl)-N-(1-oxoethyl-2,2,2-d3)- [ACD/Index Name]
S-(2-Cyanethyl)-N-(2H3)ethanoyl-L-cystein [German] [ACD/IUPAC Name]
S-(2-Cyanoethyl)-N-(2H3)ethanoyl-L-cysteine [ACD/IUPAC Name]
S-(2-Cyanoéthyl)-N-(2H3)éthanoyl-L-cystéine [French] [ACD/IUPAC Name]
(2R)-3-(2-cyanoethylsulfanyl)-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
1260619-59-7 [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: 543.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 89.9±6.0 kJ/mol
    Flash Point: 282.7±30.1 °C
    Index of Refraction: 1.530
    Molar Refractivity: 52.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: -0.69
    ACD/LogD (pH 5.5): -3.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 115 Å2
    Polarizability: 20.7±0.5 10-24cm3
    Surface Tension: 55.8±3.0 dyne/cm
    Molar Volume: 168.9±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement