5-Galloylquinic acid

Base Information

• Chemical Name: 5-Galloylquinic acid
• CAS No.: 53584-43-3
• Molecular Formula: C14H16O10
• Molecular Weight: 344.27100
• DSSTox Substance ID: DTXSID901314704
• Nikkaji Number: J727.537D
• Wikidata: Q105150312
• Mol file: 53584-43-3.mol

Synonyms:5-galloylquinic acid

Chemical Property of 5-Galloylquinic acid

Chemical Property:

• Boiling Point: 754.4±60.0 °C(Predicted)
• PKA: 3.87±0.50(Predicted)
• PSA: 184.98000
• Density: 1.85±0.1 g/cm3(Predicted)
• LogP: -1.33990
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 344.07434670
• Heavy Atom Count: 24
• Complexity: 484

Purity/Quality:

99%+, ^*data from raw suppliers

5-Galloylquinicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O
• Isomeric SMILES: C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O