Taxifolin-3-glucopyranoside

Base Information

• Chemical Name: Taxifolin-3-glucopyranoside
• CAS No.: 129212-92-6
• Molecular Formula: C21H22 O12
• Molecular Weight: 466.3922
• DSSTox Substance ID: DTXSID40156095
• Nikkaji Number: J856.128A
• Wikidata: Q72480382
• Metabolomics Workbench ID: 128099
• ChEMBL ID: CHEMBL2332679
• Mol file: 129212-92-6.mol

Synonyms:taxifolin-3'-O-beta-D-pyranglucoside;taxifolin-3-glucopyranoside;taxifolin-3-O-beta-D-glucopyranoside

Chemical Property of Taxifolin-3-glucopyranoside

Chemical Property:

• Vapor Pressure: 2.15E-31mmHg at 25°C
• Boiling Point: 858.4°Cat760mmHg
• PKA: 7.34±0.60(Predicted)
• Flash Point: 301.6°C
• PSA: 206.60000
• Density: 1.82g/cm³
• LogP: -0.98950
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 466.11112613
• Heavy Atom Count: 33
• Complexity: 692

Purity/Quality:

98%min ^*data from raw suppliers

(2S,3S)-(-)-Glucodistylin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1[C@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O