FDU
Summary
| Name: | 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione |
| Synonyms: | (2'S)-2'-DEOXY-2'-FLUORO-5-ETHYNYLURIDINE |
| Formula: | C11 H11 F N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 270.214 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.7.6 | 5-ethynyl-1-[(2R,3S,4R,5R)-3-fluoranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2F)CO |
| InChI | InChI | 1.03 | InChI=1S/C11H11FN2O5/c1-2-5-3-14(11(18)13-9(5)17)10-7(12)8(16)6(4-15)19-10/h1,3,6-8,10,15-16H,4H2,(H,13,17,18)/t6-,7+,8-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | YEEGMPUOCRQFRV-IBCQBUCCSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)N2C=C(C#C)C(=O)NC2=O |
| SMILES | CACTVS | 3.370 | OC[CH]1O[CH]([CH](F)[CH]1O)N2C=C(C#C)C(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C#CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | C#CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F |
