4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methoxy-2-phenyl-

Base Information

• Chemical Name: 4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methoxy-2-phenyl-
• CAS No.: 80366-14-9
• Molecular Formula: C22H22O10
• Molecular Weight: 446.4
• DSSTox Substance ID: DTXSID80230287
• Wikidata: Q83110765
• Mol file: 80366-14-9.mol

Synonyms:80366-14-9;4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methoxy-2-phenyl-;4H-1-Benzopyran-4-one,5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methoxy-2-phenyl-;DTXSID80230287

Chemical Property of 4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methoxy-2-phenyl-

Chemical Property:

• Vapor Pressure: 1.52E-26mmHg at 25°C
• Boiling Point: 793.4°C at 760 mmHg
• Flash Point: 279.3°C
• PSA: 159.05000
• Density: 1.545g/cm³
• LogP: 0.35290
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 446.12129689
• Heavy Atom Count: 32
• Complexity: 692

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C(=C(C=C1O)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C=C(O2)C4=CC=CC=C4
• Isomeric SMILES: COC1=C2C(=C(C=C1O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C=C(O2)C4=CC=CC=C4