ULF
Summary
| Name: | [(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-5-fluoro-7-hydroxy-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate |
| Formula: | C11 H14 F N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 352.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-5-fluoro-7-hydroxy-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.7.6 | [(1R,2R,4R,6R,7S)-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-fluoranyl-7-oxidanyl-3-oxabicyclo[2.2.1]heptan-4-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C(C(F)C2)C3O |
| InChI | InChI | 1.03 | InChI=1S/C11H14FN2O8P/c12-5-3-11(4-21-23(18,19)20)8(16)7(5)9(22-11)14-2-1-6(15)13-10(14)17/h1-2,5,7-9,16H,3-4H2,(H,13,15,17)(H2,18,19,20)/t5-,7-,8+,9-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | INQRQYVGAIORTC-QVPLNXPXSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1[C@H]2[C@H](F)C[C@]1(CO[P](O)(O)=O)O[C@H]2N3C=CC(=O)NC3=O |
| SMILES | CACTVS | 3.370 | O[CH]1[CH]2[CH](F)C[C]1(CO[P](O)(O)=O)O[CH]2N3C=CC(=O)NC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@H]([C@@H]2[C@@H]([C@]1(O[C@H]2N3C=CC(=O)NC3=O)COP(=O)(O)O)O)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(C2C(C1(OC2N3C=CC(=O)NC3=O)COP(=O)(O)O)O)F |
