XDN
Summary
| Name: | PIPERIDINE-3,4,5-TRIOL |
| Synonyms: | XYLOSE-DERIVED 1-DEOXY-NOJIRIMYCIN |
| Formula: | C5 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 133.146 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R,4r,5S)-piperidine-3,4,5-triol |
| OpenEye OEToolkits | 1.7.6 | (3R,5S)-piperidine-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1CNCC(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5+ |
| InChIKey | InChI | 1.03 | RMCNETIHECSPMZ-SCDXWVJYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1CNC[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | O[CH]1CNC[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@H](C([C@H](CN1)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(C(C(CN1)O)O)O |
