D-Pinitol
Representations & DB's id
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| ChEBI: | CHEBI:28548 | |
|---|---|---|
| ChEMBL: | CHEMBL493737 | |
| PubChem: | 164619 | |
| IUPAC: | (1S,2S,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol | |
| Standard InChI: | InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5-,6+,7+/m0/s1 | |
| Standard InChI Key: | DSCFFEYYQKSRSV-KLJZZCKASA-N | |
| SMILES: | CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O | |
Molecular propeties
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| AlogP: | -3.18 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 194.08 | |
| Topological polar surface area: | 110 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 7 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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