A1IPA
Summary
| Name: | (2~{R},3~{R},4~{R},5~{S})-2-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol |
| Formula: | C8 H17 N O5 |
| Formal charge: | 0 |
| Formula weight: | 207.224 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{R},5~{S})-2-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H17NO5/c10-2-1-8(4-11)7(14)6(13)5(12)3-9-8/h5-7,9-14H,1-4H2/t5-,6+,7-,8+/m0/s1 |
| InChIKey | InChI | 1.06 | UKHJGUGGTKLIIF-FKSUSPILSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OCC[C]1(CO)NC[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@H]([C@@H]([C@@](N1)(CCO)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C(N1)(CCO)CO)O)O)O |
