3-Hydroxy-4-Oxopyran-2,6-Dicarboxylic Acid
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL109516 | |
| PubChem: | 10347 | |
| IUPAC: | 3-hydroxy-4-oxopyran-2,6-dicarboxylic acid | |
| Standard InChI: | InChI=1S/C7H4O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1,9H,(H,10,11)(H,12,13) | |
| Standard InChI Key: | ZEGRKMXCOCRTCS-UHFFFAOYSA-N | |
| SMILES: | OC(=O)c1cc(=O)c(c(o1)C(=O)O)O | |
Molecular propeties
| ||
| AlogP: | -0.26 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 200 | |
| Topological polar surface area: | 121 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0 | |
| Number of carbons: | 7 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|