Y2W
Summary
| Name: | [(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid |
| Formula: | C7 H15 N O6 S |
| Formal charge: | 0 |
| Formula weight: | 241.262 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H15NO6S/c8-4-1-5(9)7(11)6(10)3(4)2-15(12,13)14/h3-7,9-11H,1-2,8H2,(H,12,13,14)/t3-,4+,5-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.06 | UVCDOBMNOOKYMK-PJEQPVAWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1C[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CS(=O)(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C(C1O)O)O)CS(=O)(=O)O)N |
