IDJ
Summary
| Name: | (2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid |
| Synonyms: | [2R,3R,4R,5S]-2-carboxy-3,4,5-trihydroxy-piperidine |
| Formula: | C6 H11 N O5 |
| Formal charge: | 0 |
| Formula weight: | 177.155 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (2R,3R,4R,5S)-3,4,5-tris(oxidanyl)piperidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1NCC(O)C(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3+,4+,5+/m0/s1 |
| InChIKey | InChI | 1.03 | ZHFMVVUVCALAMY-NRXMZTRTSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1CN[C@H]([C@@H](O)[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.370 | O[CH]1CN[CH]([CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@@H]([C@H]([C@@H]([C@@H](N1)C(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(C(C(C(N1)C(=O)O)O)O)O |
