Quinic Acid
Representations & DB's id
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| ChEBI: | CHEBI:17521 | |
|---|---|---|
| ChEMBL: | CHEMBL465398 | |
| PubChem: | 6508 | |
| IUPAC: | (3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid | |
| Standard InChI: | InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1 | |
| Standard InChI Key: | AAWZDTNXLSGCEK-WYWMIBKRSA-N | |
| SMILES: | O[C@@H]1[C@H](O)C[C@@](C[C@H]1O)(O)C(=O)O | |
Molecular propeties
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| AlogP: | -2.32 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 192.06 | |
| Topological polar surface area: | 118 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.857 | |
| Number of carbons: | 7 | |