2FI
Summary
| Name: | 2'-fluoro-2'-deoxyinosine |
| Synonyms: | 9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one |
| Formula: | C10 H12 F N4 O7 P |
| Formal charge: | 0 |
| Formula weight: | 350.197 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4S,5R)-4-fluoro-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2ncn(c2N=CN1)C3OC(C(O)C3F)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@H](F)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23 |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=CNC2=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)F)N=CNC2=O |
| InChI | InChI | 1.03 | InChI=1S/C10H12FN4O7P/c11-5-7(16)4(1-21-23(18,19)20)22-10(5)15-3-14-6-8(15)12-2-13-9(6)17/h2-5,7,10,16H,1H2,(H,12,13,17)(H2,18,19,20)/t4-,5+,7-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | HMMSHEYLIDBUMQ-GQTRHBFLSA-N |
