AC1L9V6X
[[(2S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 5-Fluoro-3'-deoxyuridine-5'-triphosphate|5-Fluoro-3 -deoxyuridine 5 -triphosphoric acid|uridine 5'-(tetrahydrogen triphosphate), 3'-deoxy-5-fluoro-|({[({[(2S,4R,5R)-5-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid|[[(2S,4R,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate|[[(2S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
| Molecular Formula | C9H14FN2O14P3 |
|---|---|
| Molecular Weight | 485.9642 g/mol |
| LogP | -5.0 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.9642 |
| Monoisotopic Mass | 485.9642 |
| Heavy Atoms | 29 |
| Complexity | 857.0 |
Chemical Identifiers
| CAS Number | 99909-03-2 |
|---|---|
| SMILES | C1[C@H](O[C@H]([C@@H]1O)N2C=C(C(=O)NC2=O)F)COP(=O)(O)OP(=O)(O)OP(=O)(O)O |
| InChIKey | QMKFPBSXXIHGKY-CVTKMRTPSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1L9V6X (CAS 99909-03-2), with molecular formula C9H14FN2O14P3 and molecular weight 485.9642 g/mol. IUPAC: [[(2S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
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