Ferulic acid-4'-O-glucuronide
(2S,3S,4S,5R,6S)-6-[4-(2-carboxyethenyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Ferulic acid-4'-O-glucuronide|Ferulic Acid 4-O-b-D-Glucuronide|4-(2-Carboxyethenyl)-2-methoxyphenyl beta-D-Glucopyranosiduronic Acid|beta-D-Glucopyranosiduronic acid, 4-(2-carboxyethenyl)-2-methoxyphenyl|(2S,3S,4S,5R,6S)-6-[4-[(E)-2-carboxyethenyl]-2-methoxy-phenoxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid|(2S,3S,4S,5R,6S)-6-[4-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C16H18O10 |
|---|---|
| Molecular Weight | 370.09 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.09 |
| Monoisotopic Mass | 370.09 |
| Heavy Atoms | 26 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 86321-24-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | TWSIWBHKRJLZCF-JHZZJYKESA-N |
Product Overview
Ferulic acid-4'-O-glucuronide (CAS 86321-24-6), with molecular formula C16H18O10 and molecular weight 370.09 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[4-(2-carboxyethenyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
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