T93
Summary
| Name: | [[(4-hexoxypyridin-2-yl)amino]-phosphono-methyl]phosphonic acid |
| Formula: | C12 H22 N2 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 368.26 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [[(4-hexoxypyridin-2-yl)amino]-phosphono-methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H22N2O7P2/c1-2-3-4-5-8-21-10-6-7-13-11(9-10)14-12(22(15,16)17)23(18,19)20/h6-7,9,12H,2-5,8H2,1H3,(H,13,14)(H2,15,16,17)(H2,18,19,20) |
| InChIKey | InChI | 1.03 | NXVHNJBPVOSZAP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCOc1ccnc(NC([P](O)(O)=O)[P](O)(O)=O)c1 |
| SMILES | CACTVS | 3.385 | CCCCCCOc1ccnc(NC([P](O)(O)=O)[P](O)(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCCOc1ccnc(c1)NC(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCOc1ccnc(c1)NC(P(=O)(O)O)P(=O)(O)O |
