ChemSpider 2D Image | (~2~H_3_)Methyl L-alpha-aspartyl-L-phenylalaninate | C14H15D3N2O5

(2H3)Methyl L-α-aspartyl-L-phenylalaninate

  • Molecular FormulaC14H15D3N2O5
  • Average mass297.322 Da
  • Monoisotopic mass297.140411 Da
  • ChemSpider ID48058685

  • 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

(2H3)Methyl L-α-aspartyl-L-phenylalaninate [ACD/IUPAC Name]
(2H3)Methyl-L-α-asparagyl-L-phenylalaninat [German] [ACD/IUPAC Name]
L-Phenylalanine, L-α-aspartyl-, methyl-d3 ester [ACD/Index Name]
L-α-Aspartyl-L-phénylalaninate de (2H3)méthyle [French] [ACD/IUPAC Name]
(3S)-3-amino-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-(trideuteriomethoxy)propan-2-yl]amino]butanoic acid
1356841-28-5 [RN]
22839-47-0 [RN]
ASPARTAME-D3

    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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