ChemSpider 2D Image | (2,3,3-~2~H_3_)Aspartic acid | C4H4D3NO4

(2,3,3-2H3)Aspartic acid

  • Molecular FormulaC4H4D3NO4
  • Average mass136.121 Da
  • Monoisotopic mass136.056335 Da
  • ChemSpider ID73997122

  • 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

(2,3,3-2H3)Asparaginsäure [German] [ACD/IUPAC Name]
(2,3,3-2H3)Aspartic acid [ACD/IUPAC Name]
Acide (2,3,3-2H3)aspartique [French] [ACD/IUPAC Name]
Aspartic-2,3,3-d3 acid [ACD/Index Name]
1202063-44-2 [RN]
d-aspartic-2,3,3-d3 acid

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 264.1±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 55.3±6.0 kJ/mol
    Flash Point: 113.5±24.6 °C
    Index of Refraction: 1.531
    Molar Refractivity: 27.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.67
    ACD/LogD (pH 5.5): -4.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 101 Å2
    Polarizability: 10.8±0.5 10-24cm3
    Surface Tension: 78.2±3.0 dyne/cm
    Molar Volume: 87.9±3.0 cm3

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