2-(Hydroxymethyl)Oxane-2,3,4,5-Tetrol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL23954 | |
| PubChem: | 3426 | |
| IUPAC: | 2-(hydroxymethyl)oxane-2,3,4,5-tetrol | |
| Standard InChI: | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2 | |
| Standard InChI Key: | LKDRXBCSQODPBY-UHFFFAOYSA-N | |
| SMILES: | OCC1(O)OCC(C(C1O)O)O | |
Molecular propeties
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| AlogP: | -3.22 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 180.06 | |
| Topological polar surface area: | 110 | |
| 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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