[(2R,3S,4S,5R)-5-(5-Butyl-2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS 78524-95-5]

Identification

• Name: [(2R,3S,4S,5R)-5-(5-Butyl-2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,4S,5R)-5-(5-Butyl-2,4-Dioxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4S,5R)-5-(5-Butyl-2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4S,5R)-5-(5-Butyl-2,4-Diketo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₃H₂₃N₂O₁₅P₃
• Molecular Weight: 540.25
• CAS Registry Number: 78524-95-5
• 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)O)N2C(=O)NC(=O)C(=C2)CCCC
• InChI: 1S/C13H23N2O15P3/c1-2-3-4-7-5-15(13(19)14-11(7)18)12-10(17)9(16)8(28-12)6-27-32(23,24)30-33(25,26)29-31(20,21)22/h5,8-10,12,16-17H,2-4,6H2,1H3,(H,23,24)(H,25,26)(H,14,18,19)(H2,20,21,22)/t8-,9-,10+,12-/m1/s1
• InChIKey: SGQOYOKALDBANZ-MWGHHZFTSA-N

Properties

• Density: 1.81g/cm³ (Cal.)