[5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxyoxolan-2-Yl]Methyl [[5-(7,8-Dimethyl-2,4-Dioxobenzo[g]Pteridin-10-Yl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate
[CAS# 38716-27-7]

Identification

• Name: [5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxyoxolan-2-Yl]Methyl [[5-(7,8-Dimethyl-2,4-Dioxobenzo[g]Pteridin-10-Yl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate
• Synonyms: [5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl [[5-(7,8-Dimethyl-2,4-Dioxo-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate; [5-(6-Amino-9-Purinyl)-4-Hydroxy-3-Phosphonooxy-2-Tetrahydrofuranyl]Methyl [[5-(7,8-Dimethyl-2,4-Dioxo-10-Benzo[G]Pteridinyl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate; [5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl [[5-(2,4-Diketo-7,8-Dimethyl-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₂₇H₃₄N₉O₁₈P₃
• Molecular Weight: 865.54
• CAS Registry Number: 38716-27-7
• SMILES: C1=C(C)C(=CC3=C1N(C2=NC(=O)NC(C2=N3)=O)CC(C(C(CO[P](O[P](OCC4C(C(O)C(O4)[N]6C5=C(C(=NC=N5)N)N=C6)O[P](O)(=O)O)(=O)O)(=O)O)O)O)O)C
• InChI: 1S/C27H34N9O18P3/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(41)34-27(42)33-24)5-14(37)19(39)15(38)6-50-56(46,47)54-57(48,49)51-7-16-21(53-55(43,44)45)20(40)26(52-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-40H,5-7H2,1-2H3,(H,46,47)(H,48,49)(H2,28,29,30)(H,34,41,42)(H2,43,44,45)
• InChIKey: QOJVPCDYXUQNMD-UHFFFAOYSA-N

Properties

• Density: 2.178g/cm³ (Cal.)