Inositol
Representations & DB's id
| ||
| ChEBI: | CHEBI:17268 | |
|---|---|---|
| ChEMBL: | CHEMBL1222251 | |
| PubChem: | 892 | |
| IUPAC: | cyclohexane-1,2,3,4,5,6-hexol | |
| Standard InChI: | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- | |
| Standard InChI Key: | CDAISMWEOUEBRE-GPIVLXJGSA-N | |
| SMILES: | O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O | |
Molecular propeties
| ||
| AlogP: | -3.83 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 1 | |
| Molecular Weight: | 180.06 | |
| Topological polar surface area: | 121 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 6 | |