[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-[(4-Formyl-5-Hydroxy-6-Methylpyridin-3-Yl)-Hydroxymethyl]Phosphoryl] Phosphono Hydrogen Phosphate
[CAS# 135145-98-1]

Identification

• Name: [[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-[(4-Formyl-5-Hydroxy-6-Methylpyridin-3-Yl)-Hydroxymethyl]Phosphoryl] Phosphono Hydrogen Phosphate
• Synonyms: [[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-[(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridyl)-Hydroxy-Methyl]Phosphoryl] Phosphono Hydrogen Phosphate; [[(2R,3S,4R,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-[(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridyl)-Hydroxymethyl]Phosphoryl] Phosphono Hydrogen Phosphate; [[(2R,3S,4R,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-[(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridyl)-Hydroxy-Methyl]Phosphoryl] Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₇H₂₂N₃O₁₇P₃
• Molecular Weight: 633.29
• CAS Registry Number: 135145-98-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)C(O)C2=CN=C(C(=C2C=O)O)C)N3C(=O)NC(=O)C=C3
• InChI: 1S/C17H22N3O17P3/c1-7-12(23)9(5-21)8(4-18-7)16(26)38(28,36-40(32,33)37-39(29,30)31)34-6-10-13(24)14(25)15(35-10)20-3-2-11(22)19-17(20)27/h2-5,10,13-16,23-26H,6H2,1H3,(H,32,33)(H,19,22,27)(H2,29,30,31)/t10-,13-,14-,15-,16?,38?/m1/s1
• InChIKey: CHAPHWPIBXRRED-HNEPOKBBSA-N

Properties

• Density: 1.934g/cm³ (Cal.)