[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[5-(7,8-Dimethyl-2,4-Dioxobenzo[g]Pteridin-10-Yl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate
[CAS# 146-14-5]

Identification

• Classification: Biochemical >> Nucleic acid drug
• Name: [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-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)-3,4-Dihydroxy-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)-3,4-Dihydroxy-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)-3,4-Dihydroxy-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: C₂₇H₃₃N₉O₁₅P₂
• Molecular Weight: 785.56
• CAS Registry Number: 146-14-5
• EINECS: 205-663-1
• SMILES: C1=C(C)C(=CC3=C1N(C2=NC(=O)NC(C2=N3)=O)CC(C(C(CO[P](O[P](OCC6OC([N]5C4=C(C(=NC=N4)N)N=C5)C(C6O)O)(=O)O)(=O)O)O)O)O)C
• InChI: 1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)
• InChIKey: VWWQXMAJTJZDQX-UHFFFAOYSA-N

Properties

• Density: 2.088g/cm³ (Cal.)