(S)-4-Carboxy-3-hydroxyphenylglycine

Base Information

• Chemical Name: (S)-4-Carboxy-3-hydroxyphenylglycine
• CAS No.: 85148-82-9
• Molecular Formula: C9H9 N O5
• Molecular Weight: 211.17
• Hs Code.: 2922509090
• European Community (EC) Number: 635-905-5
• UNII: DFS3SIU1ME
• Nikkaji Number: J521.807A
• Wikidata: Q27895865
• Pharos Ligand ID: AFN4HKQZYVNX
• ChEMBL ID: CHEMBL39372
• Mol file: 85148-82-9.mol

Synonyms:85148-82-9;(S)-4-CARBOXY-3-HYDROXYPHENYLGLYCINE;(s)-4C3HPG;(S)-4C3H-PG;DFS3SIU1ME;4-[(S)-AMINO(CARBOXY)METHYL]-2-HYDROXYBENZOIC ACID;4C3HPG;(S)-4-(amino(carboxy)methyl)-2-hydroxybenzoic acid;4-Carboxy-3-hydroxyphenylglycine, (S)-;CHEMBL39372;Tocris-0320;UNII-DFS3SIU1ME;D0S6DK;GTPL1374;SCHEMBL12648356;HMS3411E09;HMS3675E09;4-[(1S)-1-amino-2-hydroxy-2-oxoethyl]-2-hydroxybenzoic acid;Benzeneacetic acid, alpha-amino-4-carboxy-3-hydroxy-, (alphaS)-;BDBM50053585;PDSP1_001316;PDSP2_001300;4-carboxy-3-hydroxyphenylglycine-(S);AKOS024457474;NCGC00024532-01;NCGC00024532-02;SR-01000597633;(S)-4-(amino(carboxy)methyl)-2-hydroxybenzoicacid;SR-01000597633-1;4-((S)-Amino-carboxy-methyl)-2-hydroxy-benzoic acid;Q27895865;Benzeneacetic acid, alpha-amino-4-carboxy-3-hydroxy-, (S)-;BENZENEACETIC ACID, .ALPHA.-AMINO-4-CARBOXY-3-HYDROXY-, (S)-;BENZENEACETIC ACID, .ALPHA.-AMINO-4-CARBOXY-3-HYDROXY-, (.ALPHA.S)-

Chemical Property of (S)-4-Carboxy-3-hydroxyphenylglycine

Chemical Property:

• Vapor Pressure: 5.46E-10mmHg at 25°C
• Boiling Point: 479.1°C at 760 mmHg
• PKA: 1.62±0.10(Predicted)
• Flash Point: 243.6°C
• PSA: 120.85000
• Density: 1.596g/cm³
• LogP: 0.87510
• Storage Temp.: Store at RT
• XLogP3: -1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 211.04807239
• Heavy Atom Count: 15
• Complexity: 267

Purity/Quality:

98.5% ^*data from raw suppliers

(S)-4C3H-PG ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(C(=O)O)N)O)C(=O)O
• Isomeric SMILES: C1=CC(=C(C=C1[C@@H](C(=O)O)N)O)C(=O)O
• Uses: (S)-4C3H-PG is an agonist for group II mGluRs and competitive antagonist for group I mGluR.