[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [(2R,3S,4R,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-2-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl]Oxy-Hydroxyphosphoryl]Oxymethyl]-4-Hydroxyoxolan-3-Yl] Hydrogen Phosphate
[CAS# 3393-25-7]

Identification

• Name: [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [(2R,3S,4R,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-2-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl]Oxy-Hydroxyphosphoryl]Oxymethyl]-4-Hydroxyoxolan-3-Yl] Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-2-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-4-Hydroxy-Tetrahydrofuran-3-Yl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-2-[[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydrofuranyl]Oxy-Hydroxyphosphoryl]Oxymethyl]-4-Hydroxy-3-Tetrahydrofuranyl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-2-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-Methylol-Tetrahydrofuran-3-Yl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-4-Hydroxy-Tetrahydrofuran-3-Yl] Hydrogen Phosphate
• Molecular Formula: C₂₉H₃₇N₁₃O₁₈P₂
• Molecular Weight: 917.64
• CAS Registry Number: 3393-25-7
• SMILES: [C@@H]5(O[P](OC[C@H]3O[C@@H]([N]1C2=C(N=C1)C(=O)N=C(N2)N)[C@H](O)[C@@H]3O)(O)=O)[C@H](O[C@@H](N4C=CC(=NC4=O)N)[C@@H]5O)CO[P](O[C@H]6[C@@H](O)[C@@H](O[C@@H]6CO)[N]8C7=NC=NC(=C7N=C8)N)(O)=O
• InChI: 1S/C29H37N13O18P2/c30-12-1-2-40(29(49)37-12)26-18(47)20(60-61(50,51)54-4-10-15(44)16(45)25(57-10)42-8-36-14-23(42)38-28(32)39-24(14)48)11(58-26)5-55-62(52,53)59-19-9(3-43)56-27(17(19)46)41-7-35-13-21(31)33-6-34-22(13)41/h1-2,6-11,15-20,25-27,43-47H,3-5H2,(H,50,51)(H,52,53)(H2,30,37,49)(H2,31,33,34)(H3,32,38,39,48)/t9-,10-,11-,15-,16-,17-,18-,19-,20-,25-,26-,27-/m1/s1
• InChIKey: NHXYUHYHGKDTTM-POYLIAOGSA-N

Properties

• Density: 2.409g/cm³ (Cal.)
• Boiling point: 1362.476°C at 760 mmHg (Cal.)
• Flash point: 777.797°C (Cal.)