NBV
Summary
| Name: | (2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL |
| Formula: | C10 H21 N O4 |
| Formal charge: | 0 |
| Formula weight: | 219.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol |
| OpenEye OEToolkits | 1.5.0 | (1R,2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCC1N(CCCC)CC(O)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
| SMILES | CACTVS | 3.341 | CCCCN1C[CH](O)[CH](O)[CH](O)[CH]1CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCN1CC(C(C(C1CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | UQRORFVVSGFNRO-UTINFBMNSA-N |
