[(2R,3S,5R)-2-[(Hydroxy-Phosphonooxyphosphoryl)Oxymethyl]-5-Imidazo[2,1-f]Purin-3-Yloxolan-3-Yl] 4-(Benzoyl)Benzoate
[CAS# 110682-79-6]

Identification

• Name: [(2R,3S,5R)-2-[(Hydroxy-Phosphonooxyphosphoryl)Oxymethyl]-5-Imidazo[2,1-f]Purin-3-Yloxolan-3-Yl] 4-(Benzoyl)Benzoate
• Synonyms: [(2R,3S,5R)-2-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]-5-Imidazo[2,1-F]Purin-3-Yl-Tetrahydrofuran-3-Yl] 4-(Benzoyl)Benzoate; 4-(Oxo-Phenylmethyl)Benzoic Acid [(2R,3S,5R)-2-[(Hydroxy-Phosphonooxyphosphoryl)Oxymethyl]-5-(3-Imidazo[2,1-F]Purinyl)-3-Tetrahydrofuranyl] Ester; 4-(Benzoyl)Benzoic Acid [(2R,3S,5R)-2-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]-5-Imidazo[2,1-F]Purin-3-Yl-Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₂₆H₂₃N₅O₁₁P₂
• Molecular Weight: 643.44
• CAS Registry Number: 110682-79-6
• SMILES: [C@H]3(O[C@@H]([C@@H](OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C3)CO[P](O[P](=O)(O)O)(=O)O)[N]4C6=C(N=C4)C5=NC=C[N]5C=N6
• InChI: 1S/C26H23N5O11P2/c32-23(16-4-2-1-3-5-16)17-6-8-18(9-7-17)26(33)41-19-12-21(40-20(19)13-39-44(37,38)42-43(34,35)36)31-15-28-22-24-27-10-11-30(24)14-29-25(22)31/h1-11,14-15,19-21H,12-13H2,(H,37,38)(H2,34,35,36)/t19-,20+,21+/m0/s1
• InChIKey: AWGGGKHLXXQILD-PWRODBHTSA-N

Properties

• Density: 1.775g/cm³ (Cal.)