2E7
Summary
| Name: | (6-chloropyridin-3-yl)methyl trihydrogen diphosphate |
| Formula: | C6 H8 Cl N O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 303.531 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6-chloropyridin-3-yl)methyl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.7.6 | (6-chloranylpyridin-3-yl)methyl phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ncc(cc1)COP(=O)(O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H8ClNO7P2/c7-6-2-1-5(3-8-6)4-14-17(12,13)15-16(9,10)11/h1-3H,4H2,(H,12,13)(H2,9,10,11) |
| InChIKey | InChI | 1.03 | HWMZLVMBHKPTHS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)O[P](O)(=O)OCc1ccc(Cl)nc1 |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)O[P](O)(=O)OCc1ccc(Cl)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1COP(=O)(O)OP(=O)(O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1COP(=O)(O)OP(=O)(O)O)Cl |
