Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-
1-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
Also Known As: Glucoacetosyringone|4-O-Succinyl diginose|4-Acetyl-2,6-dimethoxyphenyl hexopyranoside|4-Acetyl-2,6-dimethoxyphenyl beta-D-glucopyranoside|Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-|1-O-(4-Acetyl-2,6-dimethoxyphenyl)-beta-D-glucopyranose|1-(3,5-dimethoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethan-1-one|1-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
| Molecular Formula | C16H22O9 |
|---|---|
| Molecular Weight | 358.12637 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.12637 |
| Monoisotopic Mass | 358.12637 |
| Heavy Atoms | 25 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 86402-41-7 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C(=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC |
| InChIKey | NUZMLNQKLRRREC-SSZWKKLZSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)- (CAS 86402-41-7), with molecular formula C16H22O9 and molecular weight 358.12637 g/mol. IUPAC: 1-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone.
Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)- is a custom synthesis product. We offer services from milligram to kilogram scale.
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