Kaempferol 3,4'-diglucoside

Base Information

• Chemical Name: Kaempferol 3,4'-diglucoside
• CAS No.: 71939-16-7
• Molecular Formula: C27H30O16
• Molecular Weight: 610.51700
• ChEMBL ID: CHEMBL2206208
• DSSTox Substance ID: DTXSID901310883
• Metabolomics Workbench ID: 24825
• Nikkaji Number: J525.064A
• Wikidata: Q104968534

Synonyms:Kaempferol 3,4'-diglucoside;71939-16-7;Kaempferol 3,4'-di-O-glucoside;CHEMBL2206208;DTXSID901310883;HY-N9381;AKOS040757034;FS-8432;CS-0159583

Chemical Property of Kaempferol 3,4'-diglucoside

Chemical Property:

• Boiling Point: 984.7±65.0 °C(Predicted)
• PSA: 269.43000
• Density: 1.82±0.1 g/cm3(Predicted)
• LogP: -2.77140
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 610.15338487
• Heavy Atom Count: 43
• Complexity: 1000

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O
• Isomeric SMILES: C1=CC(=CC=C1C2=C(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[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

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