IFL
Summary
| Name: | (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE |
| Synonyms: | ISOFAGOMINE LACTAM |
| Formula: | C6 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 161.156 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one |
| OpenEye OEToolkits | 1.5.0 | (3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NCC(CO)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1CNC(=O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1CNC(=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(C(=O)N1)O)O)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-5,8-10H,1-2H2,(H,7,11)/t3-,4-,5+/m1/s1 |
| InChIKey | InChI | 1.03 | ARBXEMIAJIJEQI-WDCZJNDASA-N |
