1-O-Palmitylglucuronic acid
(2S,3S,4S,5R,6R)-6-hexadecoxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Pglcua|Palmitoyl glucuronide|1-O-Palmitylglucuronic acid|1-O-Palmityl-D-glucuronic acid|Hexadecyl hexopyranosiduronic acid|1-O-Palmityl-delta-glucuronic acid|hexadecyl |A-d-glucopyranosiduronic acid|Hexadecyl beta-D-glucopyranosiduronic acid|Hexadecylbeta-D-glucopyranosiduronic acid|beta-D-Glucopyranosiduronic acid, hexadecyl|Hexadecylbeta-delta-glucopyranosiduronic acid|(2S,3S,4S,5R,6R)-6-hexadecoxy-3,4,5-trihydroxyoxane-2-carboxylic acid|(2S,3S,4S,5R,6R)-6-(HEXADECYLOXY)-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID|(2S,3S,4S,5R,6R)-6-Hexadecyloxy-3,4,5-trihydroxy-tetrahydro-pyran-2-carboxylic acid
| Molecular Formula | C22H42O7 |
|---|---|
| Molecular Weight | 418.29306 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 418.29306 |
| Monoisotopic Mass | 418.29306 |
| Heavy Atoms | 29 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 20902-91-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O |
| InChIKey | QFUQXEVPTHAOHS-SXFAUFNYSA-N |
Product Overview
1-O-Palmitylglucuronic acid (CAS 20902-91-4), with molecular formula C22H42O7 and molecular weight 418.29306 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-hexadecoxy-3,4,5-trihydroxyoxane-2-carboxylic acid.