Gluconic Acid
Representations & DB's id
| ||
| ChEBI: | CHEBI:33198 | |
|---|---|---|
| ChEMBL: | CHEMBL464345 | |
| PubChem: | 10690 | |
| IUPAC: | (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid | |
| Standard InChI: | InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1 | |
| Standard InChI Key: | RGHNJXZEOKUKBD-SQOUGZDYSA-N | |
| SMILES: | OC[C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O | |
Molecular propeties
| ||
| AlogP: | -3.49 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 0 | |
| Molecular Weight: | 196.06 | |
| Topological polar surface area: | 138 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.833 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|