A1EIV
Summary
| Name: | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(3-sulfanylpyridin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate |
| Formula: | C10 H15 N O7 P S |
| Formal charge: | 1 |
| Formula weight: | 324.267 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(3-sulfanylpyridin-1-ium-1-yl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H14NO7PS/c12-8-7(5-17-19(14,15)16)18-10(9(8)13)11-3-1-2-6(20)4-11/h1-4,7-10,12-13H,5H2,(H2-,14,15,16,20)/p+1/t7-,8-,9-,10-/m1/s1 |
| InChIKey | InChI | 1.06 | VITCWSBGSROZMF-ZYUZMQFOSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)[n+]2cccc(S)c2 |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)[n+]2cccc(S)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)O)O)O)S |
