Mhpg glucuronide
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethoxy]oxane-2-carboxylic acid
Also Known As: Mhpg glucuronide|3-Methoxy-4-hydroxyphenylglycol glucuronide|(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethoxy]oxane-2-carboxylic acid|-3,4,5-trihydroxy-6-[2-hydroxy-2- ethoxy]oxane-2-carboxylicacid|beta-D-Glucopyranuronic acid, monoglycoside with 1-(4-hydroxy-3-methoxyphenyl)-1,2-ethanediol|(2S,3S,4S,5R,6S)-6-(4-(1,2-dihydroxyethyl)-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C15H20O10 |
|---|---|
| Molecular Weight | 360.10565 g/mol |
| LogP | -1.657 |
| Topological Polar Surface Area | 166.14 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.10565 |
| Monoisotopic Mass | 360.10565 |
| Heavy Atoms | 25 |
| Complexity | 605.9749 |
Chemical Identifiers
| CAS Number | 52002-41-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)O |
Product Overview
Mhpg glucuronide (CAS 52002-41-2), with molecular formula C15H20O10 and molecular weight 360.10565 g/mol. IUPAC: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethoxy]oxane-2-carboxylic acid.