Stizolobic acid

Base Information

• Chemical Name: Stizolobic acid
• CAS No.: 15911-87-2
• Deprecated CAS: 26939-73-1
• Molecular Formula: C9H9 N O6
• Molecular Weight: 227.17
• UNII: QXP0P9096P
• DSSTox Substance ID: DTXSID90166588
• Nikkaji Number: J13.952A
• Wikipedia: Stizolobic acid
• Wikidata: Q7617709
• Metabolomics Workbench ID: 68256
• Mol file: 15911-87-2.mol

Synonyms:alpha-amino-6-carboxy-2-oxo-2H-pyran-4-propionic acid;stizolobic acid

Chemical Property of Stizolobic acid

Chemical Property:

• Vapor Pressure: 1.44E-12mmHg at 25°C
• Melting Point: 231-233 °C
• Boiling Point: 528.2°Cat760mmHg
• PKA: 2.17±0.10(Predicted)
• Flash Point: 273.2°C
• PSA: 130.83000
• Density: 1.604g/cm³
• LogP: -0.00730
• XLogP3: -3.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 227.04298701
• Heavy Atom Count: 16
• Complexity: 408

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(OC1=O)C(=O)O)CC(C(=O)O)N
• Isomeric SMILES: C1=C(C=C(OC1=O)C(=O)O)C[C@@H](C(=O)O)N
• Uses: L-Stizolobic Acid is a natural compound which is rediscovered from unrelated species and has potential use in new drugs.

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