Benzyl Alcohol Glucuronide
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carboxylic acid
Also Known As: Benzyl Alcohol Glucuronide|Benzyl b-D-glucopyranosiduronic acid|benzyl beta-d-glucopyranosiduronic acid|Benzyl |A-D-Glucopyranosiduronic Acid|Benzyl ?-D-glucopyranosiduronic acid|J1.649.283C|(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carboxylic acid|(2S,3S,4S,5R,6R)-6-(BENZYLOXY)-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID|(2S,3S,4S,5R,6R)-6-(Benzyloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid|(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxy-oxane-2-carboxylic Acid|(2S,3S,4S,5R,6R)-6-benzyloxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
| Molecular Formula | C13H16O7 |
|---|---|
| Molecular Weight | 284.0896 g/mol |
| LogP | -0.9046 |
| Topological Polar Surface Area | 116.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.0896 |
| Monoisotopic Mass | 284.0896 |
| Heavy Atoms | 20 |
| Complexity | 449.29272 |
Chemical Identifiers
| CAS Number | 5285-02-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
Product Overview
Benzyl Alcohol Glucuronide (CAS 5285-02-9), with molecular formula C13H16O7 and molecular weight 284.0896 g/mol. IUPAC: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carboxylic acid.
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