IFM
Summary
| Name: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE |
| Synonyms: | Afegostat isofagomine; (3R,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-3,4-DIOL |
| Formula: | C6 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 147.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol |
| OpenEye OEToolkits | 1.5.0 | (3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(CO)CNCC1O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1CNC[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1CNC[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H]([C@@H](CN1)O)O)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(CN1)O)O)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | QPYJXFZUIJOGNX-HSUXUTPPSA-N |
