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56253-90-8

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Basic Information
CAS No.: 56253-90-8
Name: L-Phenyl-D5-alanine
Molecular Structure:
Molecular Structure of 56253-90-8 (L-Phenyl-D5-alanine)
Formula: C9H6D5NO2
Molecular Weight: 170.152
Synonyms: L-phenylalanine-2,3,4,5,6-d_5_;
Density: 1.238 g/cm3
Melting Point: 270-275 °C (dec. )(lit.)
Boiling Point: 307.5 °C at 760 mmHg
Flash Point: 139.8 °C
PSA: 63.32000
LogP: 1.34130
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Specification

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