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5-O-Digalloyl-3,4-di-O-galloylquinic acid

Base Information Edit
  • Chemical Name:5-O-Digalloyl-3,4-di-O-galloylquinic acid
  • CAS No.:123134-20-3
  • Molecular Formula:C35H28 O22
  • Molecular Weight:800.58362
  • Hs Code.:
  • DSSTox Substance ID:DTXSID30924381
  • Wikidata:Q76010327
  • Metabolomics Workbench ID:48495
  • ChEMBL ID:CHEMBL288498
  • Mol file:123134-20-3.mol
5-O-Digalloyl-3,4-di-O-galloylquinic acid

Synonyms:3,4,5,5-tetraGQA;3,4-di-O-galloyl-5-O-digalloylquinic acid

Suppliers and Price of 5-O-Digalloyl-3,4-di-O-galloylquinic acid
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
Total 1 raw suppliers
Chemical Property of 5-O-Digalloyl-3,4-di-O-galloylquinic acid Edit
Chemical Property:
  • Vapor Pressure:0mmHg at 25°C 
  • Boiling Point:1264.1°Cat760mmHg 
  • Flash Point:394°C 
  • PSA:385.26000 
  • Density:2.02g/cm3 
  • LogP:1.25350 
  • XLogP3:1.8
  • Hydrogen Bond Donor Count:13
  • Hydrogen Bond Acceptor Count:22
  • Rotatable Bond Count:13
  • Exact Mass:800.10722252
  • Heavy Atom Count:57
  • Complexity:1430
Purity/Quality:

99%min *data from raw suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1C(C(C(CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)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)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O
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