[(2R,3S,5R)-3-Hydroxy-5-(4-Oxo-5H-Imidazo[2,1-b]Purin-1-Yl)Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS 121055-54-7]

Identification

• Name: [(2R,3S,5R)-3-Hydroxy-5-(4-Oxo-5H-Imidazo[2,1-b]Purin-1-Yl)Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,5R)-3-Hydroxy-5-(4-Oxo-5H-Imidazo[2,1-B]Purin-1-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-(4-Oxo-5H-Imidazo[2,1-B]Purin-1-Yl)-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-(4-Keto-5H-Imidazo[2,1-B]Purin-1-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₂H₁₆N₅O₁₃P₃
• Molecular Weight: 531.21
• CAS Registry Number: 121055-54-7
• SMILES: [C@H]1(O[C@@H]([C@H](C1)O)CO[P](=O)(O)O[P](=O)(O)O[P](=O)(O)O)[N]2C=NC4=C2[N]3C=CN=C3NC4=O
• InChI: 1S/C12H16N5O13P3/c18-6-3-8(17-5-14-9-10(19)15-12-13-1-2-16(12)11(9)17)28-7(6)4-27-32(23,24)30-33(25,26)29-31(20,21)22/h1-2,5-8,18H,3-4H2,(H,23,24)(H,25,26)(H,13,15,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
• InChIKey: PTYNYVQZWKMAIM-XLPZGREQSA-N

Properties

• Density: 2.53g/cm³ (Cal.)