P9V
Summary
| Name: | (2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol |
| Formula: | C8 H17 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 207.29 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S},4~{S},5~{R})-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CSCCC1NCC(C(C1O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H17NO3S/c1-13-3-2-5-7(11)8(12)6(10)4-9-5/h5-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1 |
| InChIKey | InChI | 1.03 | ZTGUKWHBLOJEPU-NGJRWZKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | CSCC[CH]1NC[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSCC[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSCCC1C(C(C(CN1)O)O)O |
