Agropinic acid
(2S)-5-oxo-1-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pyrrolidine-2-carboxylic acid
Also Known As: Agropinic acid|Agrapinic acid|1-(1-Deoxy-D-mannitol-1-yl)-5-oxo-L-proline|N2-(1'-deoxyhexitol-1'-yl)-5-oxoproline|L-Proline, 1-(1-deoxy-D-mannitol-1-yl)-5-oxo-|(2S)-5-oxo-1-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pyrrolidine-2-carboxylic acid|1-[(2R,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]-5-oxo-L-proline|G9Z
CAS: 74474-75-2
| Molecular Formula | C11H19NO8 |
|---|---|
| Molecular Weight | 293.11105 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 293.11105 |
| Monoisotopic Mass | 293.11105 |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 74474-75-2 |
|---|---|
| SMILES | C1CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| InChIKey | JSDKIRAEXWDIPM-SZWOQXJISA-N |
Product Overview
Agropinic acid (CAS 74474-75-2), with molecular formula C11H19NO8 and molecular weight 293.11105 g/mol. IUPAC: (2S)-5-oxo-1-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pyrrolidine-2-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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