MNM
Summary
| Name: | (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE |
| Formula: | C6 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 163.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol |
| OpenEye OEToolkits | 1.5.0 | (2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(CNC(O)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1CN[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1CN[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(C(N1)O)O)O)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-11H,1-2H2/t3-,4-,5+,6+/m1/s1 |
| InChIKey | InChI | 1.03 | BHOYFRIRWXBNHP-ZXXMMSQZSA-N |
