ChemSpider 2D Image | N-(2-Pyrazinylcarbonyl)-D-phenylalanine | C14H13N3O3

N-(2-Pyrazinylcarbonyl)-D-phenylalanine

  • Molecular FormulaC14H13N3O3
  • Average mass271.271 Da
  • Monoisotopic mass271.095703 Da
  • ChemSpider ID27471938

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Phenylalanine, N-(2-pyrazinylcarbonyl)- [ACD/Index Name]
N-(2-Pyrazinylcarbonyl)-D-phenylalanin [German] [ACD/IUPAC Name]
N-(2-Pyrazinylcarbonyl)-D-phenylalanine [ACD/IUPAC Name]
N-(2-Pyrazinylcarbonyl)-D-phénylalanine [French] [ACD/IUPAC Name]
(2R)-3-PHENYL-2-(PYRAZIN-2-YLFORMAMIDO)PROPANOIC ACID
(2R)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid
(2R)-3-PHENYL-2-[(PYRAZIN-2-YL)FORMAMIDO]PROPANOIC ACID
(pyrazine-2-carbonyl)-D-phenylalanine
(R)-3-Phenyl-2-(pyrazine-2-carboxamido)propanoic acid
(r)-3-phenyl-2-(pyrazine-2-carboxamido)propanoicacid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 573.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.4±3.0 kJ/mol
    Flash Point: 300.8±30.1 °C
    Index of Refraction: 1.613
    Molar Refractivity: 71.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.89
    ACD/LogD (pH 5.5): -1.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.78
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 64.0±3.0 dyne/cm
    Molar Volume: 204.9±3.0 cm3

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