 |
| Ligand Name: (3S,5R,7R,8S)-5,7,8-Trihydroxy-1-oxaspiro[2.5]octane-5-carboxylic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1456 |
PubChem:
101889489
|
Synonym(s):
- (3s,5r)-5,7beta,8alpha-trihydroxy-1-oxaspiro[2.5]octane-5beta-carboxylic acid
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: O[C@@H]1C[C@@](O)(C[C@]2(CO2)[C@H]1O)C(O)=O |
| Standard InChI: InChI=1S/C8H12O6/c9-4-1-7(13,6(11)12)2-8(3-14-8)5(4)10/h4-5,9-10,13H,1-3H2,(H,11,12)/t4-,5+,7-,8+/m1/s1 |
| Molecular Formula: C8H12O6 |
Mol. Weight: 204.06339 |
logP: -1.9133 |
| HBD: 4 | HBA: 5 |
| #Rotatable Bonds: 1 | TPSA: 110.52 |