ChemSpider 2D Image | N-(~2~H_3_)Ethanoyl-L-aspartic acid | C6H6D3NO5

N-(2H3)Ethanoyl-L-aspartic acid

  • Molecular FormulaC6H6D3NO5
  • Average mass178.158 Da
  • Monoisotopic mass178.066910 Da
  • ChemSpider ID26323926

  • 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

Acide N-(2H3)éthanoyl-L-aspartique [French] [ACD/IUPAC Name]
L-Aspartic acid, N-(1-oxoethyl-2,2,2-d3)- [ACD/Index Name]
N-(2H3)Ethanoyl-L-asparaginsäure [German] [ACD/IUPAC Name]
N-(2H3)Ethanoyl-L-aspartic acid [ACD/IUPAC Name]
1383929-94-9 [RN]
ACETYL N-(D3)-ASPARTIC ACID
N-Acetyl -L-Aspartic Acid-d3

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 425.3±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.6±6.0 kJ/mol
    Flash Point: 211.0±25.9 °C
    Index of Refraction: 1.506
    Molar Refractivity: 36.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -1.05
    ACD/LogD (pH 5.5): -4.25
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 14.5±0.5 10-24cm3
    Surface Tension: 61.5±3.0 dyne/cm
    Molar Volume: 123.1±3.0 cm3

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