Bergaptol-O-glucopyranoside

Base Information

• Chemical Name: Bergaptol-O-glucopyranoside
• CAS No.: 131623-13-7
• Molecular Formula: C17H16 O9
• Molecular Weight: 364.309
• DSSTox Substance ID: DTXSID00157149
• Nikkaji Number: J340.946E
• Wikidata: Q83025293
• Mol file: 131623-13-7.mol

Synonyms:bergaptol-O-beta-D-glucopyranoside;bergaptol-O-glucopyranoside

Chemical Property of Bergaptol-O-glucopyranoside

Chemical Property:

• Vapor Pressure: 5.39E-20mmHg at 25°C
• Boiling Point: 690.1°Cat760mmHg
• Flash Point: 371.2°C
• PSA: 142.73000
• Density: 1.647g/cm³
• LogP: -0.28210
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 364.07943208
• Heavy Atom Count: 26
• Complexity: 566

Purity/Quality:

≥95% ^*data from raw suppliers

Bergaptol-beta-glucopyranoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)OC4C(C(C(C(O4)CO)O)O)O
• Isomeric SMILES: C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O