5-S-Cysteinyl-3,4-dihydroxyphenylacetic acid

Base Information

• Chemical Name: 5-S-Cysteinyl-3,4-dihydroxyphenylacetic acid
• CAS No.: 102986-13-0
• Molecular Formula: C11H13 N O6 S
• Molecular Weight: 287.29
• DSSTox Substance ID: DTXSID40145601
• Nikkaji Number: J389.566A
• Wikidata: Q83010170
• Mol file: 102986-13-0.mol

Synonyms:5-S-cysteinyl-3,4-dihydroxyphenylacetic acid;5-S-cysteinyl-dopac;5-S-cysteinyldopac

Chemical Property of 5-S-Cysteinyl-3,4-dihydroxyphenylacetic acid

Chemical Property:

• Vapor Pressure: 4.97E-14mmHg at 25°C
• Boiling Point: 574.3°Cat760mmHg
• Flash Point: 301.1°C
• PSA: 166.38000
• Density: 1.65g/cm³
• LogP: 0.92920
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 287.04635831
• Heavy Atom Count: 19
• Complexity: 339

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)O)SCC(C(=O)O)N)CC(=O)O
• Isomeric SMILES: C1=C(C=C(C(=C1O)O)SC[C@@H](C(=O)O)N)CC(=O)O

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