Showing Metabocard for 2-O-caffeoylglucarate (BASm0003243)
| Common Name | 2-o-caffeoylglucarate |
|---|---|
| Description | A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of 2-O-caffeoylglucaric acid; major species at pH 7.3. |
| Structure | |
| Molecular Formula | C15H14O11 |
| Average Mass | 370.26510 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C15H16O11/c16-7-3-1-6(5-8(7)17)2-4-9(18)26-13(15(24)25)11(20)10(19)12(21)14(22)23/h1-5,10-13,16-17,19-21H,(H,22,23)(H,24,25)/p-2/b4-2+/t10-,11-,12-,13+/m0/s1 |
| InChI Key | OMIXKOJEIRRAJW-CDEBNWADSA-L |
| CHEBI ID | CHEBI:58157 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | -2 |
| Polarizability | Not Available |