6-Methoxykaempferol 3-O-glucoside

Base Information

• Chemical Name: 6-Methoxykaempferol 3-O-glucoside
• CAS No.: 63422-27-5
• Molecular Formula: C₂₂H₂₂O₁₂
• Molecular Weight: 478.409
• DSSTox Substance ID: DTXSID00979601
• Nikkaji Number: J608.314E
• Wikidata: Q82965294
• Metabolomics Workbench ID: 126380
• ChEMBL ID: CHEMBL2037049

Synonyms:63422-27-5;Kaempferol-6-methoxy-3-O-beta-D-glucoside;6-Methoxykaempferol 3-O-glucoside;CHEMBL2037049;DTXSID00979601;AKOS040762736;5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-3-yl hexopyranoside

Chemical Property of 6-Methoxykaempferol 3-O-glucoside

Chemical Property:

• Vapor Pressure: 2.41E-31mmHg at 25°C
• Boiling Point: 857.8°Cat760mmHg
• Flash Point: 299.4°C
• Density: 1.75g/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:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O)O
• Isomeric SMILES: COC1=C(C2=C(C=C1O)OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O)O

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