EM2
Summary
| Name: | (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate |
| Formula: | C9 H8 N O6 P |
| Formal charge: | 0 |
| Formula weight: | 257.137 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H8NO6P/c1-2-8-9(12)7(4-11)6(3-10-8)5-16-17(13,14)15/h1,3-4,12H,5H2,(H2,13,14,15) |
| InChIKey | InChI | 1.03 | OAIRLJMOEFCXML-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1c(C=O)c(CO[P](O)(O)=O)cnc1C#C |
| SMILES | CACTVS | 3.385 | Oc1c(C=O)c(CO[P](O)(O)=O)cnc1C#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C#Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C#Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O |
