[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] Hydrogen Phosphate
[CAS# 74927-11-0]

Identification

• Name: [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] Hydrogen Phosphate
• Synonyms: [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [[5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] Hydrogen Phosphate; [[5-(3-Aminocarbonyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl] [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₂₁H₂₉N₇O₁₄P₂
• Molecular Weight: 665.45
• CAS Registry Number: 74927-11-0
• SMILES: C1=NC5=C([N]1C4OC(CO[P](O[P](OCC3OC(N2C=C(CC=C2)C(N)=O)C(C3O)O)(=O)O)(=O)O)C(C4O)O)N=CN=C5N
• InChI: 1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)
• InChIKey: BOPGDPNILDQYTO-UHFFFAOYSA-N

Properties

• Density: 2.18g/cm³ (Cal.)
• Boiling point: 1081.765°C at 760 mmHg (Cal.)
• Flash point: 608.029°C (Cal.)