Valoneaic acid

Base Information

• Chemical Name: Valoneaic acid
• CAS No.: 517-54-4
• Molecular Formula: C21H14O15
• Molecular Weight: 506.33
• UNII: G4WG3M7WNB
• DSSTox Substance ID: DTXSID60498505
• Nikkaji Number: J13.985H
• Wikipedia: Valoneic_acid
• Mol file: 517-54-4.mol

Synonyms:Valoneaic acid;Valoneic acid;G4WG3M7WNB;UNII-G4WG3M7WNB;517-54-4;Diphenic acid, 4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5,5,6,6-pentahydroxy-;(1,1-Biphenyl)-2,2-dicarboxylic acid, 4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5,5,6,6-pentahydroxy-;4-(6-Carboxy-2,3,4-trihydroxyphenoxy)-4,5,5,6,6-pentahydroxy(1,1-biphenyl)-2,2-dicarboxylic acid;DTXSID60498505;CHEBI:180730;2-[6-carboxy-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-2,3-dihydroxyphenyl]-3,4,5-trihydroxybenzoic acid;4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid

Chemical Property of Valoneaic acid

Chemical Property:

• PSA: 282.97000
• LogP: 1.88530
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 6
• Exact Mass: 506.03326974
• Heavy Atom Count: 36
• Complexity: 836

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1O)O)O)C2=C(C(=C(C=C2C(=O)O)OC3=C(C(=C(C=C3C(=O)O)O)O)O)O)O)C(=O)O