ZXD
Summary
| Name: | (2S,3R,4S,5R)-2-(1-methylethyl)piperidine-3,4,5-triol |
| Formula: | C8 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 175.225 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3R,4S,5R)-2-(1-methylethyl)piperidine-3,4,5-triol |
| OpenEye OEToolkits | 1.5.0 | (2S,3R,4S,5R)-2-propan-2-ylpiperidine-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(NCC(O)C1O)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | CC(C)[CH]1NC[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C1C(C(C(CN1)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H17NO3/c1-4(2)6-8(12)7(11)5(10)3-9-6/h4-12H,3H2,1-2H3/t5-,6+,7+,8-/m1/s1 |
| InChIKey | InChI | 1.03 | WNBLNSHOIGFFFW-VGRMVHKJSA-N |
