[[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-Imidazo[2,1-f]Purin-3-Yloxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] 4-(Benzoyl)Benzoate
[CAS# 110682-84-3]

Identification

• Name: [[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-Imidazo[2,1-f]Purin-3-Yloxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] 4-(Benzoyl)Benzoate
• 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] 4-(Benzoyl)Benzoate; 4-(Oxo-Phenylmethyl)Benzoic Acid [[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(3-Imidazo[2,1-F]Purinyl)-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] Ester; 4-(Benzoyl)Benzoic Acid [[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-Imidazo[2,1-F]Purin-3-Yl-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Ester
• Molecular Formula: C₂₆H₂₃N₅O₁₂P₂
• Molecular Weight: 659.44
• CAS Registry Number: 110682-84-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](OC(=O)C3=CC=C(C(=O)C2=CC=CC=C2)C=C3)(=O)O)(=O)O)[N]4C6=C(N=C4)C5=NC=C[N]5C=N6
• InChI: 1S/C26H23N5O12P2/c32-20(15-4-2-1-3-5-15)16-6-8-17(9-7-16)26(35)42-45(38,39)43-44(36,37)40-12-18-21(33)22(34)25(41-18)31-14-28-19-23-27-10-11-30(23)13-29-24(19)31/h1-11,13-14,18,21-22,25,33-34H,12H2,(H,36,37)(H,38,39)/t18-,21-,22-,25-/m1/s1
• InChIKey: HAZAYIMMDPPYTB-PXOHRUDZSA-N

Properties

• Density: 1.833g/cm³ (Cal.)