4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-

Base Information

• Chemical Name: 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-
• CAS No.: 70056-56-3
• Molecular Formula: C22H22 O12
• Molecular Weight: 478.4029
• DSSTox Substance ID: DTXSID10220338
• Wikidata: Q83097535
• Mol file: 70056-56-3.mol

Synonyms:6-Methoxykaempferol 7-O-glucoside;4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-;70056-56-3;6-Methoxykaempferol 7-glucoside;DTXSID10220338

Chemical Property of 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-

Chemical Property:

• Vapor Pressure: 2.41E-28mmHg at 25°C
• Boiling Point: 818.6°Cat760mmHg
• Flash Point: 285.7°C
• Density: 1.695g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 478.11112613
• Heavy Atom Count: 34
• Complexity: 765

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O
• Isomeric SMILES: COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O