Quercetin 3-(2G-xylosylrutinoside)

Base Information

• Chemical Name: Quercetin 3-(2G-xylosylrutinoside)
• CAS No.: 129235-39-8
• Molecular Formula: C32H38 O20
• Molecular Weight: 742.6321
• ChEMBL ID: CHEMBL4090909
• DSSTox Substance ID: DTXSID80926350
• Metabolomics Workbench ID: 70387
• Nikkaji Number: J452.037H
• Wikidata: Q82900862
• Mol file: 129235-39-8.mol

Synonyms:quercetin 3-O-beta-(2(G)-O-beta-xylopyranosyl-6(G)-O-alpha-rhamnopyranosyl)glucopyranoside

Chemical Property of Quercetin 3-(2G-xylosylrutinoside)

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1099.3°Cat760mmHg
• PKA: 6.17±0.40(Predicted)
• Flash Point: 348.1°C
• PSA: 328.35000
• Density: 1.83g/cm³
• LogP: -3.22380
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 8
• Exact Mass: 742.19564360
• Heavy Atom Count: 52
• Complexity: 1270

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)OC6C(C(C(CO6)O)O)O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)O)O)O)O