ChemSpider 2D Image | Methyl L-alpha-aspartyl(2,3,4,5,6-~2~H_5_)phenylalaninate | C14H13D5N2O5

Methyl L-α-aspartyl(2,3,4,5,6-2H5)phenylalaninate

  • Molecular FormulaC14H13D5N2O5
  • Average mass299.334 Da
  • Monoisotopic mass299.152954 Da
  • ChemSpider ID35467017

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L-α-Aspartyl(2,3,4,5,6-2H5)phénylalaninate de méthyle [French] [ACD/IUPAC Name]
Methyl L-α-aspartyl(2,3,4,5,6-2H5)phenylalaninate [ACD/IUPAC Name]
MethylL-α-asparagyl(2,3,4,5,6-2H5)phenylalaninat [German] [ACD/IUPAC Name]
Phenylalanine-2,3,4,5,6-d5, L-α-aspartyl-, methyl ester [ACD/Index Name]
1356849-17-6 [RN]
Aspartame-d5
Methyl L-α-aspartyl-L-(2,3,4,5,6-2H5)phenylalaninate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 535.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.5±3.0 kJ/mol
    Flash Point: 277.8±30.1 °C
    Index of Refraction: 1.557
    Molar Refractivity: 74.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 1.11
    ACD/LogD (pH 5.5): -1.35
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.82
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 119 Å2
    Polarizability: 29.3±0.5 10-24cm3
    Surface Tension: 55.1±3.0 dyne/cm
    Molar Volume: 229.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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