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Chemical structure of L-Histidine-d5 hydrochloride hydrate

GC69374

L-Histidine-d5 hydrochloride hydrate

Also known as (2S)-2-amino-2,3,3-trideuterio-3-(2,4-dideuterio-1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride

L-Histidine-d5 (hydrochloride hydrate) is the deuterated form of L-Histidine hydrochloride hydrate· L-Histidine hydrochloride hydrate (H-His-OH·HCl·H2O) is an endogenous metabolic product

ChemicalCAS2483831-75-8MW214.66FormulaC6H7D5ClN3O3
CAS number
2483831-75-8
Molecular weight
214.66
Formula
C6H7D5ClN3O3
Solubility
H2O ： 125 mg/mL (582·32 mM; ultrasonic and adjust pH to 6 with NaOH)
InChIKey
CMXXUDSWGMGYLZ-QGRMNJNTSA-N
Catalogue number
GC69374
Brand
GLPBIO
Computed properties PubChem CID 162642347 · TPSA 93 Ų · H-bond donors 5 · H-bond acceptors 5
TPSA
93 Ų
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
13

SMILES [2H]C1=C(NC(=N1)[2H])C([2H])([2H])[C@@]([2H])(C(=O)O)N.O.Cl

Computed descriptors from PubChem (CID 162642347), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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