EOW
Summary
| Name: | (6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate |
| Formula: | C11 H14 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 271.206 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H14NO5P/c1-3-4-5-10-11(13)8(2)9(6-12-10)7-17-18(14,15)16/h1,6,13H,4-5,7H2,2H3,(H2,14,15,16) |
| InChIKey | InChI | 1.03 | HYSIPFHNUDKCJU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(O)c(CCC#C)ncc1CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | Cc1c(O)c(CCC#C)ncc1CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(cnc(c1O)CCC#C)COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(cnc(c1O)CCC#C)COP(=O)(O)O |
