4-Methoxy-6-(beta-D-glucopyranosyloxy)benzofuran-5-propionic acid

Base Information

• Chemical Name: 4-Methoxy-6-(beta-D-glucopyranosyloxy)benzofuran-5-propionic acid
• CAS No.: 169312-28-1
• Molecular Formula: C18H22 O10
• Molecular Weight: 398.36
• DSSTox Substance ID: DTXSID201176507
• Nikkaji Number: J1.268.346D
• Wikidata: Q104999848

Synonyms:MEGxp0_001135;ACon1_001170;DTXSID201176507;NCGC00169610-01;BRD-K31018748-001-01-5;4-Methoxy-6-(beta-D-glucopyranosyloxy)benzofuran-5-propionic acid;6-(beta-D-Glucopyranosyloxy)-4-methoxy-5-benzofuranpropanoic acid;169312-28-1

Chemical Property of 4-Methoxy-6-(beta-D-glucopyranosyloxy)benzofuran-5-propionic acid

Chemical Property:

• Boiling Point: 658.5±55.0 °C(Predicted)
• Density: 1.524±0.06 g/cm3(Predicted)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 398.12129689
• Heavy Atom Count: 28
• Complexity: 531

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: COC1=C2C=COC2=CC(=C1CCC(=O)O)OC3C(C(C(C(O3)CO)O)O)O
• Isomeric SMILES: COC1=C2C=COC2=CC(=C1CCC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

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