DFU
Summary
| Name: | (2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL |
| Synonyms: | DEOXYFUCONOJIRIMYCIN |
| 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 | (2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol |
| OpenEye OEToolkits | 1.5.0 | (2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(NCC(O)C1O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | C[CH]1NC[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(C(CN1)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1 |
| InChIKey | InChI | 1.03 | VYOCYWDJTQRZLC-KCDKBNATSA-N |
