Fukinolic acid

Base Information

• Chemical Name: Fukinolic acid
• CAS No.: 50982-40-6
• Molecular Formula: C20H18 O11
• Molecular Weight: 434.35
• UNII: OLL8DU5J30
• DSSTox Substance ID: DTXSID401317189
• Nikkaji Number: J936.739J
• Wikidata: Q27285721
• Metabolomics Workbench ID: 138588
• ChEMBL ID: CHEMBL487192
• Mol file: 50982-40-6.mol

Synonyms:(2R,3S)-2-(3,4-Dihydroxybenzyl)-3-(((2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl)oxy)-2-hydroxysuccinic acid;fukinolic acid

Chemical Property of Fukinolic acid

Chemical Property:

• Vapor Pressure: 2.7E-25mmHg at 25°C
• Boiling Point: 775.3°Cat760mmHg
• Flash Point: 274.8°C
• PSA: 202.05000
• Density: 1.683g/cm³
• LogP: 0.57700
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 434.08491139
• Heavy Atom Count: 31
• Complexity: 693

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1C[C@@]([C@@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)(C(=O)O)O)O)O