Quercetagetin 7-glucoside

Base Information

• Chemical Name: Quercetagetin 7-glucoside
• CAS No.: 548-75-4
• Molecular Formula: C21H20 O13
• Molecular Weight: 480.382
• Metabolomics Workbench ID: 25989
• Wikidata: Q105111510
• Mol file: 548-75-4.mol

Synonyms:Quercetagetin 7-glucoside;2-(3,4-Dihydroxyphenyl)-3,5,6-trihydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;Flavonol base + 5O, O-Hex

Chemical Property of Quercetagetin 7-glucoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 236-238 °C (decomp)(Solv: pyridine (110-86-1); water (7732-18-5))
• Boiling Point: 908°Cat760mmHg
• PKA: 5.73±0.40(Predicted)
• Flash Point: 318.3°C
• PSA: 230.74000
• Density: 1.883g/cm³
• LogP: -0.83330
• XLogP3: 0
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 480.09039069
• Heavy Atom Count: 34
• Complexity: 789

Purity/Quality:

≥98% ^*data from raw suppliers

Quercetagitrin 98.79% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O