Y7U
Summary
| Name: | 2',2'-Difluorodeoxyuridine |
| Synonyms: | 1-[(2~{R},4~{R},5~{R})-3,3-bis(fluoranyl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione |
| Formula: | C9 H10 F2 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 264.183 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{R},4~{R},5~{R})-3,3-bis(fluoranyl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H10F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h1-2,4,6-7,14,16H,3H2,(H,12,15,17) |
| InChIKey | InChI | 1.06 | FIRDBEQIJQERSE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)C(F)(F)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](N2C=CC(=O)NC2=O)C(F)(F)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)NC1=O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)(F)F |
