ChemSpider 2D Image | N-Acetyl-L-cysteine-d3 | C5H6D3NO3S

N-Acetyl-L-cysteine-d3

  • Molecular FormulaC5H6D3NO3S
  • Average mass166.213 Da
  • Monoisotopic mass166.049149 Da
  • ChemSpider ID32817961

  • 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

131685-11-5 [RN]
L-Cysteine, N-(1-oxoethyl-2,2,2-d3)- [ACD/Index Name]
N-(2H3)Ethanoyl-L-cystein [German] [ACD/IUPAC Name]
N-(2H3)Ethanoyl-L-cysteine [ACD/IUPAC Name]
N-(2H3)Éthanoyl-L-cystéine [French] [ACD/IUPAC Name]
N-Acetyl-L-cysteine-d3
(2R)-3-sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
L-Cysteine, N-(acetyl-d3)- (9CI)
N-Acetyl-d3-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: 407.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 72.4±6.0 kJ/mol
    Flash Point: 200.4±27.3 °C
    Index of Refraction: 1.519
    Molar Refractivity: 38.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.15
    ACD/LogD (pH 5.5): -2.66
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.70
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 105 Å2
    Polarizability: 15.2±0.5 10-24cm3
    Surface Tension: 50.0±3.0 dyne/cm
    Molar Volume: 126.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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