A1IO7
Summary
| Name: | (2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-2-pentyl-piperidine-3,4,5-triol |
| Formula: | C11 H23 N O4 |
| Formal charge: | 0 |
| Formula weight: | 233.305 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-2-pentyl-piperidine-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H23NO4/c1-2-3-4-5-11(7-13)10(16)9(15)8(14)6-12-11/h8-10,12-16H,2-7H2,1H3/t8-,9+,10-,11+/m0/s1 |
| InChIKey | InChI | 1.06 | ATZIJQARFQJARY-ZRUFSTJUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CCCCC[C]1(CO)NC[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC[C@]1([C@H]([C@@H]([C@H](CN1)O)O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCC1(C(C(C(CN1)O)O)O)CO |
