L-Phenyl-D5-alanine (56253-90-8)

The L-Phenyl-D5-alanine with the cas number 56253-90-8 is also called L-phenylalanine-2,3,4,5,6-d_5_. Both the systematic name and IUPAC name are 2-amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid. Its molecular formula is C₉H₆D₅NO₂. This chemical belongs to the following product categories: (1)Alphabetical Listings; (2)Amino AcidsStable Isotopes; (3)Metabolic Research; (4)P; (5)Stable Isotopes.

The properties of the chemical are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 63.32 Å²; (7)Index of Refraction: 1.576; (8)Molar Refractivity: 45.49 cm³; (9)Molar Volume: 137.4 cm³; (10)Polarizability: 18.03×10^-24cm³; (11)Surface Tension: 53.5 dyne/cm; (12)Enthalpy of Vaporization: 57.87 kJ/mol; (13)Vapour Pressure: 0.000313 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1c(C[C@H](N)C(O)=O)c([2H])c([2H])c([2H])c1[2H]
(2)InChI: InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i1D,2D,3D,4D,5D
(3)InChIKey: COLNVLDHVKWLRT-HRVDQBBZFB