Pyranonigrin A

Base Information

• Chemical Name: Pyranonigrin A
• CAS No.: 773855-65-5
• Molecular Formula: C10H9 N O5
• Molecular Weight: 223.18216
• DSSTox Substance ID: DTXSID501017485
• Metabolomics Workbench ID: 106462,180728
• Nikkaji Number: J2.098.215B
• Wikidata: Q77511254
• Mol file: 773855-65-5.mol

Synonyms:(7R)-3,7-dihydroxy-2-((1E)-prop-1-enyl)-6,7-dihydropyrano(2,3-c)pyrrole-4,5-dione;pyranonigrin A

Chemical Property of Pyranonigrin A

Chemical Property:

• PSA: 99.77000
• LogP: 0.44310
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 223.04807239
• Heavy Atom Count: 16
• Complexity: 472

Purity/Quality:

99% ^*data from raw suppliers

PyranonigrinA ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=CC1=C(C(=O)C2=C(O1)C(NC2=O)O)O
• Isomeric SMILES: C/C=C/C1=C(C(=O)C2=C(O1)[C@H](NC2=O)O)O
• Uses: Pyranonigrin A is an antioxidant with radical scavenging activity towards DPPH and superoxide.