Quercetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside

Base Information

• Chemical Name: Quercetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside
• CAS No.: 117611-67-3
• Molecular Formula: C27H30 O16
• Molecular Weight: 610.52
• DSSTox Substance ID: DTXSID60151840
• Nikkaji Number: J704.076H
• Wikidata: Q83018386
• Metabolomics Workbench ID: 139455
• ChEMBL ID: CHEMBL499824
• Mol file: 117611-67-3.mol

Synonyms:quercetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside;quercetin-Rha-Gal

Chemical Property of Quercetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 209-214 °C
• Boiling Point: 987.1°Cat760mmHg
• PKA: 6.17±0.40(Predicted)
• Flash Point: 326.7°C
• PSA: 269.43000
• Density: 1.82g/cm³
• LogP: -1.68710
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 6
• Exact Mass: 610.15338487
• Heavy Atom Count: 43
• Complexity: 1020

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O

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