60N
Summary
| Name: | 6-[(~{S})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid |
| Formula: | C7 H8 N O6 P |
| Formal charge: | 0 |
| Formula weight: | 233.115 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 6-[(~{S})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H8NO6P/c9-6(10)4-2-1-3-5(8-4)7(11)15(12,13)14/h1-3,7,11H,(H,9,10)(H2,12,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | BMLFSBIYIPWZDN-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](c1cccc(n1)C(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | O[CH](c1cccc(n1)C(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(nc(c1)C(=O)O)[C@@H](O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(nc(c1)C(=O)O)C(O)P(=O)(O)O |
