JP9
Summary
| Name: | (3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexane-1-sulfonic acid |
| Formal charge: | 0 |
| Formula weight: | 324.2 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexane-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H13O11PS/c7-3(1-17-18(11,12)13)5(9)6(10)4(8)2-19(14,15)16/h4-6,8-10H,1-2H2,(H2,11,12,13)(H,14,15,16)/t4-,5-,6-/m1/s1 |
| InChIKey | InChI | 1.06 | BXFAKMQEOMYBNM-HSUXUTPPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](C[S](O)(=O)=O)[C@@H](O)[C@H](O)C(=O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)C(=O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)S(=O)(=O)O |
