9VH
Summary
| Name: | [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid |
| Formula: | C6 H13 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 211.236 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO5S/c8-5-2-7-1-4(6(5)9)3-13(10,11)12/h4-9H,1-3H2,(H,10,11,12)/t4-,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | RCSXCFCCYYFFCY-HSUXUTPPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CNC[C@H](C[S](O)(=O)=O)[C@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1CNC[CH](C[S](O)(=O)=O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@@H]([C@H]([C@@H](CN1)O)O)CS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C(C(C(CN1)O)O)CS(=O)(=O)O |
