Isofraxoside

Base Information

• Chemical Name: Isofraxoside
• CAS No.: 24778-11-8
• Molecular Formula: C16H18 O10
• Molecular Weight: 370.313
• DSSTox Substance ID: DTXSID101347440
• Nikkaji Number: J696.327G
• Wikidata: Q104387531

Synonyms:Isofraxoside;24778-11-8;8-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;DTXSID101347440;AKOS040735214;XI163791;NS00097665

Chemical Property of Isofraxoside

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 370.08999677
• Heavy Atom Count: 26
• Complexity: 539

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)OC3C(C(C(C(O3)CO)O)O)O
• Isomeric SMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

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