Salicylamide glucuronide
(2S,3S,4S,5R,6S)-6-(2-carbamoylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Salicylamide glucuronide|2-(beta-D-Glucopyranuronosyloxy)benzamide|2-carbamoylphenyl |A-d-glucopyranosiduronic acid|O1-(2-carbamoyl-phenyl)-|A-D-glucopyranuronic acid|2-[Hydroxy(imino)methyl]phenyl hexopyranosiduronic acid|(2S,3S,4S,5R,6S)-6-(2-carbamoylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid|beta-D-Glucopyranosiduronic acid, 2-(aminocarbonyl)phenyl|2-[Hydroxy(imino)methyl]phenyl beta-D-glucopyranosiduronic acid
| Molecular Formula | C13H15NO8 |
|---|---|
| Molecular Weight | 313.07977 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.07977 |
| Monoisotopic Mass | 313.07977 |
| Heavy Atoms | 22 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 21309-50-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | AEMUKQHDNNVAES-CDHFTJPESA-N |
Product Overview
Salicylamide glucuronide (CAS 21309-50-2), with molecular formula C13H15NO8 and molecular weight 313.07977 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-(2-carbamoylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
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