ChemSpider 2D Image | N-(2-Pyrazinylcarbonyl)-D-(alpha,beta,beta,2,3,4,5,6-~2~H_8_)phenylalanine | C14H5D8N3O3

N-(2-Pyrazinylcarbonyl)-D-(α,β,β,2,3,4,5,6-2H8)phenylalanine

  • Molecular FormulaC14H5D8N3O3
  • Average mass279.321 Da
  • Monoisotopic mass279.145905 Da
  • ChemSpider ID78076128

  • 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

D-Phenylalanine-α,β,β,2,3,4,5,6-d8, N-(2-pyrazinylcarbonyl)- [ACD/Index Name]
N-(2-Pyrazinylcarbonyl)-D-(α,β,β,2,3,4,5,6-2H8)phenylalanin [German] [ACD/IUPAC Name]
N-(2-Pyrazinylcarbonyl)-D-(α,β,β,2,3,4,5,6-2H8)phenylalanine [ACD/IUPAC Name]
N-(2-Pyrazinylcarbonyl)-D-(α,β,β,2,3,4,5,6-2H8)phénylalanine [French] [ACD/IUPAC Name]

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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