6-O-Galloylglucose

Base Information

• Chemical Name: 6-O-Galloylglucose
• CAS No.: 13186-19-1
• Molecular Formula: C13H16 O10
• Molecular Weight: 332.26
• DSSTox Substance ID: DTXSID30927372
• Wikidata: Q82901996
• ChEMBL ID: CHEMBL1221848
• Mol file: 13186-19-1.mol

Synonyms:6-O-galloyl-D-glucose;6-O-galloylglucose;6-O-galloylglucose, (beta-D-pyranose)-isomer;6-O-galloylglucose, (D-pyranose)-isomer

Chemical Property of 6-O-Galloylglucose

Chemical Property:

• Vapor Pressure: 1.37E-24mmHg at 25°C
• Boiling Point: 764.7°Cat760mmHg
• PKA: 7.82±0.25(Predicted)
• Flash Point: 287.5°C
• PSA: 184.98000
• Density: 1.712g/cm³
• LogP: -2.39730
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 332.07434670
• Heavy Atom Count: 23
• Complexity: 390

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OCC(C(C(C(C=O)O)O)O)O
• Isomeric SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O