(2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-5-Fluoro-3,4-Dihydroxyoxane-2-Carboxylic Acid
[CAS# 149091-03-2]

Identification

• Name: (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-5-Fluoro-3,4-Dihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-5-Fluoro-3,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-5-Fluoro-3,4-Dihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-5-Fluoro-3,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₅H₂₁FN₂O₁₇P₂
• Molecular Weight: 582.28
• CAS Registry Number: 149091-03-2
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2F)C(=O)O)(=O)O)(=O)O)N3C(=O)NC(=O)C=C3
• InChI: 1S/C15H21FN2O17P2/c16-6-8(21)9(22)11(13(24)25)33-14(6)34-37(29,30)35-36(27,28)31-3-4-7(20)10(23)12(32-4)18-2-1-5(19)17-15(18)26/h1-2,4,6-12,14,20-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,17,19,26)/t4-,6-,7-,8-,9+,10-,11+,12-,14-/m1/s1
• InChIKey: ZXGAFQYUWRNMFJ-PCZBHKJPSA-N

Properties

• Density: 2.003g/cm³ (Cal.)