(2s)-2-Amino-4-sulfinobutanoic acid

Base Information

• Chemical Name: (2s)-2-Amino-4-sulfinobutanoic acid
• CAS No.: 2686-70-6
• Molecular Formula: C4H9 N O4 S
• Molecular Weight: 167.18
• European Community (EC) Number: 636-656-5
• DSSTox Substance ID: DTXSID70883887
• Nikkaji Number: J421.629F
• Wikidata: Q76005941
• ChEMBL ID: CHEMBL1516176
• Mol file: 2686-70-6.mol

Synonyms:(2s)-2-amino-4-sulfinobutanoic acid;2686-70-6;Butanoic acid, 2-amino-4-sulfino-, (2S)-;L-Homocysteinesulfinic acid;C4H9NO4S;L-homocysteine sulfinic acid;C4-H9-N-O4-S;L-Homocysteinesulphinic Acid;CHEMBL1516176;SCHEMBL10135851;BDBM86201;DTXSID70883887;(2s)-2-amino-4-sulfinobutanoicacid;PDSP1_001272;PDSP1_001276;PDSP2_001256;PDSP2_001260;NCGC00163274-01;NCGC00163274-02

Chemical Property of (2s)-2-Amino-4-sulfinobutanoic acid

Chemical Property:

• Vapor Pressure: 8.37E-11mmHg at 25°C
• Boiling Point: 486.6°Cat760mmHg
• PKA: 2.32±0.10(Predicted)
• Flash Point: 248.1°C
• Density: 1.667g/cm³
• Storage Temp.: −20°C
• Solubility.: Water (Slightly, Sonicated)
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 167.02522894
• Heavy Atom Count: 10
• Complexity: 148

Purity/Quality:

97% ^*data from raw suppliers

L-HomocysteinesulfinicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CS(=O)O)C(C(=O)O)N
• Isomeric SMILES: C(CS(=O)O)[C@@H](C(=O)O)N
• Uses: L-Homocysteinesulfinic Acid has proven to be a potent and selective metabotropic glutamate receptor agonist which may be related to diseases associated with moderate hyperhomocysteinemia. Used in biosynthesis of dipthamide