(1S,2R,3S,4R,5S,7R)-8-Azabicyclo[3.2.1]Octane-2,3,4,5,7-Pentol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1972699 | |
| PubChem: | 385737 | |
| IUPAC: | (1S,2R,3S,4R,5S,7R)-8-azabicyclo[3.2.1]octane-2,3,4,5,7-pentol | |
| Standard InChI: | InChI=1S/C7H13NO5/c9-2-1-7(13)6(12)5(11)4(10)3(2)8-7/h2-6,8-13H,1H2/t2-,3+,4-,5+,6-,7+/m1/s1 | |
| Standard InChI Key: | GGOJRYWHKVYFQK-BIWMIDHDSA-N | |
| SMILES: | O[C@@H]1C[C@]2(N[C@@H]1[C@@H](O)[C@@H]([C@H]2O)O)O | |
Molecular propeties
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| AlogP: | -3.51 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 191.08 | |
| Topological polar surface area: | 113 | |
| 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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