ChemSpider 2D Image | D-Phenyl-d5-alanine | C9H6D5NO2

D-Phenyl-d5-alanine

  • Molecular FormulaC9H6D5NO2
  • Average mass170.220 Da
  • Monoisotopic mass170.110367 Da
  • ChemSpider ID24532844

  • 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

362049-55-6 [RN]
D-(2,3,4,5,6-2H5)Phenylalanin [German] [ACD/IUPAC Name]
D-(2,3,4,5,6-2H5)Phenylalanine [ACD/IUPAC Name]
D-(2,3,4,5,6-2H5)Phénylalanine [French] [ACD/IUPAC Name]
D-Phenylalanine-2,3,4,5,6-d5 [ACD/Index Name]
D-Phenyl-d5-alanine
(2R)-2-amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
(R)-2-Amino-3-phenylpropionic acid
H-D-Phe-OH

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

Density: 1.2±0.1 g/cm3
Boiling Point: 307.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 139.8±24.6 °C
Index of Refraction: 1.576
Molar Refractivity: 45.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 137.4±3.0 cm3

Click to predict properties on the Chemicalize site


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