2,5-Dideoxy-2,5-Imino-D-Mannitol
Representations & DB's id
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| ChEBI: | CHEBI:4289 | |
|---|---|---|
| ChEMBL: | CHEMBL312653 | |
| PubChem: | 124702 | |
| IUPAC: | (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol | |
| Standard InChI: | InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1 | |
| Standard InChI Key: | PFYHYHZGDNWFIF-KVTDHHQDSA-N | |
| SMILES: | OC[C@H]1N[C@@H]([C@H]([C@@H]1O)O)CO | |
Molecular propeties
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| AlogP: | -2.97 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 163.08 | |
| Topological polar surface area: | 93 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 6 | |