(+)-Proto-Quercitol
Representations & DB's id
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| ChEBI: | CHEBI:27371 | |
|---|---|---|
| ChEMBL: | CHEMBL1950778 | |
| PubChem: | 441437 | |
| IUPAC: | (1R,2S,4S,5R)-cyclohexane-1,2,3,4,5-pentol | |
| Standard InChI: | InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4+,5+/m1/s1 | |
| Standard InChI Key: | IMPKVMRTXBRHRB-MBMOQRBOSA-N | |
| SMILES: | O[C@@H]1C[C@@H](O)[C@@H](C([C@H]1O)O)O | |
Molecular propeties
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| AlogP: | -2.81 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 1 | |
| Molecular Weight: | 164.07 | |
| Topological polar surface area: | 101 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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