Specification
Synonyms
L-Phenyl-[D5]-alanine-[2,3,3-D3]
IUPAC Name
(2S)-2-amino-2,3,3-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
Canonical SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])[C@@]([2H])(C(=O)O)N)[2H])[2H]
InChI
InChI=1S/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,6D2,8D
InChI Key
COLNVLDHVKWLRT-WYMAAGAPSA-N
Melting Point
270-275 °C (dec.) (lit.)
Chemical Formula
C6D5CD2CD(NH2)COOH
Isomeric SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])[C@@]([2H])(C(=O)O)N)[2H])[2H]
Stability
Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.
Storage Conditions
Store at room temperature