2''-O-Galloylquercitrin

Base Information

• Chemical Name: 2''-O-Galloylquercitrin
• CAS No.: 80229-08-9
• Molecular Formula: C₂₈H₂₄O₁₅
• Molecular Weight: 600.49
• DSSTox Substance ID: DTXSID701345785
• Nikkaji Number: J607.484G
• Wikidata: Q105145966
• Metabolomics Workbench ID: 130851
• ChEMBL ID: CHEMBL3236511
• Mol file: 80229-08-9.mol

Synonyms:2''-O-Galloylquercitrin;80229-08-9;CHEMBL3236511;[(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate;2'-O-Galloylquercitrin;MEGxp0_001105;SCHEMBL15773514;ACon1_001050;DTXSID701345785;BDBM50004201;AKOS040761014;FS-8172

Chemical Property of 2''-O-Galloylquercitrin

Chemical Property:

• Boiling Point: 1053.5±65.0 °C(Predicted)
• Density: 1.87±0.1 g/cm3(Predicted)
• XLogP3: 2
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 6
• Exact Mass: 600.11152005
• Heavy Atom Count: 43
• Complexity: 1050

Purity/Quality:

99% ^*data from raw suppliers

2''-O-Galloylquercitrin ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O