[[[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-Imidazo[2,1-f]Purin-3-Yloxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Amino]Phosphonic Acid
[CAS# 78368-53-3]

Identification

• Name: [[[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-Imidazo[2,1-f]Purin-3-Yloxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Amino]Phosphonic Acid
• Synonyms: [[[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-Imidazo[2,1-F]Purin-3-Yl-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Amino]Phosphonic Acid; [[[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(3-Imidazo[2,1-F]Purinyl)-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Amino]Phosphonic Acid; [[[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-Imidazo[2,1-F]Purin-3-Yl-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Amino]Phosphonic Acid
• Molecular Formula: C₁₂H₁₇N₆O₁₂P₃
• Molecular Weight: 530.22
• CAS Registry Number: 78368-53-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](=O)(O)N[P](=O)(O)O)(=O)O)[N]2C4=C(N=C2)C3=NC=C[N]3C=N4
• InChI: 1S/C12H17N6O12P3/c19-8-6(3-28-33(26,27)30-32(24,25)16-31(21,22)23)29-12(9(8)20)18-5-14-7-10-13-1-2-17(10)4-15-11(7)18/h1-2,4-6,8-9,12,19-20H,3H2,(H,26,27)(H4,16,21,22,23,24,25)/t6-,8-,9-,12-/m1/s1
• InChIKey: RQUIQSICXGYQBT-WOUKDFQISA-N

Properties

• Density: 2.547g/cm³ (Cal.)