2,4,5-Trihydroxyphenylalanine

Base Information

• Chemical Name: 2,4,5-Trihydroxyphenylalanine
• CAS No.: 27244-64-0
• Molecular Formula: C9H11 N O5
• Molecular Weight: 213.19
• Hs Code.: 2922504500
• European Community (EC) Number: 841-900-0
• UNII: 580PK2O48O
• DSSTox Substance ID: DTXSID90949974
• Nikkaji Number: J90.476G
• Wikidata: Q27140120
• Metabolomics Workbench ID: 66095
• ChEMBL ID: CHEMBL1256516
• Mol file: 27244-64-0.mol

Synonyms:2,4,5-trihydroxyphenyl-D,L-alanine;2,4,5-trihydroxyphenylalanine;2,5-dihydroxytyrosine;3,4,6-TOPA;3,4,6-trihydroxyphenylalanine;6-hydroxydopa;6-hydroxydopa, (D)-isomer;6-hydroxydopa, (DL)-isomer;6-hydroxydopa, (L)-isomer;6-hydroxydopa, hydrochloride;6-hydroxydopa, hydrochloride, (L)-isomer;6-OHDOPA

Chemical Property of 2,4,5-Trihydroxyphenylalanine

Chemical Property:

• Boiling Point: 515.2°Cat760mmHg
• PKA: 2.34±0.25(Predicted)
• Flash Point: 265.4°C
• PSA: 124.01000
• Density: 1.606g/cm³
• LogP: 0.45810
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Aqueous Acid (Slightly, Sonicated), Water (Slightly, Heated, Sonicated)
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 213.06372245
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

98%Min ^*data from raw suppliers

6-Hydroxy-L-DOPA ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1O)O)O)CC(C(=O)O)N
• Isomeric SMILES: C1=C(C(=CC(=C1O)O)O)C[C@@H](C(=O)O)N
• Uses: 6-Hydroxy-L-DOPA is the 6-hydroxy derivative of the amino acid L-DOPA (D533751) with neurotoxic properties. Studies show that exogenously administered 6-Hydroxy-L-DOPA is biotransformed by amino acid decarboxylase to the highly potent and catecholamine-selective neurotoxin, 6-Hydroxydopamine. The treatment of 6-Hydroxy-L-DOPA in rats resulted in the stimulation of acetylcholinesterase. 6-Hydroxy-L-DOPA (Levodopa EP Impurity A; Levodopa USP Related Compound A) is the 6-hydroxy derivative of the amino acid L-DOPA (D533751) with neurotoxic properties. Studies show that exogenously administered 6-Hydroxy-L-DOPA is biotransformed by amino acid decarboxylase to the highly potent and catecholamine-selective neurotoxin, 6-Hydroxydopamine. The treatment of 6-Hydroxy-L-DOPA in rats resulted in the stimulation of acetylcholinesterase.