2FE
Summary
| Name: | 2'-fluoro-2'-deoxy-1,N6-ethenoadenine |
| Synonyms: | 3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine |
| Formula: | C12 H13 F N5 O6 P |
| Formal charge: | 0 |
| Formula weight: | 373.234 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4S,5R)-4-fluoro-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC4OC(n3cnc1c3ncn2ccnc12)C(F)C4O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@H](F)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c4nccn4cnc23 |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c4nccn4cnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cn2cnc3c(c2n1)ncn3[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cn2cnc3c(c2n1)ncn3C4C(C(C(O4)COP(=O)(O)O)O)F |
| InChI | InChI | 1.03 | InChI=1S/C12H13FN5O6P/c13-7-9(19)6(3-23-25(20,21)22)24-12(7)18-5-15-8-10-14-1-2-17(10)4-16-11(8)18/h1-2,4-7,9,12,19H,3H2,(H2,20,21,22)/t6-,7+,9-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | SHSHKRQJDKZKDR-MCOZSMFQSA-N |
