ChemSpider 2D Image | N~5~-Carbamoyl-L-(3,3,4,4,5,5-~2~H_6_)ornithine | C6H7D6N3O3

N5-Carbamoyl-L-(3,3,4,4,5,5-2H6)ornithine

  • Molecular FormulaC6H7D6N3O3
  • Average mass181.223 Da
  • Monoisotopic mass181.133347 Da
  • ChemSpider ID48057857

  • 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

L-Ornithine-3,3,4,4,5,5-d6, N5-(aminocarbonyl)- [ACD/Index Name]
N5-Carbamoyl-L-(3,3,4,4,5,5-2H6)ornithin [German] [ACD/IUPAC Name]
N5-Carbamoyl-L-(3,3,4,4,5,5-2H6)ornithine [ACD/IUPAC Name]
N5-Carbamoyl-L-(3,3,4,4,5,5-2H6)ornithine [French] [ACD/IUPAC Name]
(2S)-2-amino-5-(carbamoylamino)-3,3,4,4,5,5-hexadeuteriopentanoic acid
1331908-61-2 [RN]
l-citrulline-d6

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 386.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 69.8±6.0 kJ/mol
    Flash Point: 187.7±27.9 °C
    Index of Refraction: 1.531
    Molar Refractivity: 42.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 6
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: -1.53
    ACD/LogD (pH 5.5): -3.70
    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: 118 Å2
    Polarizability: 16.7±0.5 10-24cm3
    Surface Tension: 61.9±3.0 dyne/cm
    Molar Volume: 135.9±3.0 cm3

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