Ethanone, 1-[3-(a-D-glucopyranosyloxy)-2-furanyl]-

Base Information

• Chemical Name: Ethanone, 1-[3-(a-D-glucopyranosyloxy)-2-furanyl]-
• CAS No.: 85559-61-1
• Molecular Formula: C₁₂H₁₆O₈
• Molecular Weight: 288.254
• DSSTox Substance ID: DTXSID701242125
• Wikidata: Q105244461

Synonyms:85559-61-1;Ethanone, 1-[3-(a-D-glucopyranosyloxy)-2-furanyl]-;1-[3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuran-2-yl]ethanone;SCHEMBL1413806;3-O-alpha-D-Glucosyl Isomaltol;DTXSID701242125;1-[3-(alpha-D-Glucopyranosyloxy)-2-furanyl]ethanone

Chemical Property of Ethanone, 1-[3-(a-D-glucopyranosyloxy)-2-furanyl]-

Chemical Property:

• XLogP3: -1.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 288.08451746
• Heavy Atom Count: 20
• Complexity: 348

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CO1)OC2C(C(C(C(O2)CO)O)O)O
• Isomeric SMILES: CC(=O)C1=C(C=CO1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

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