DGJ
Summary
| Name: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol |
| Synonyms: | 1-deoxygalactonojirimycin |
| Formula: | C6 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 163.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol |
| OpenEye OEToolkits | 1.7.2 | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(NCC(O)C1O)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1 |
| InChIKey | InChI | 1.03 | LXBIFEVIBLOUGU-DPYQTVNSSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.370 | OC[CH]1NC[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | C1C(C(C(C(N1)CO)O)O)O |
