Adenylyl-(3'-5')-2'-deoxy-2'-fluoroguanylyl-(3'-5')adenosine
[CAS# 131889-16-2]

Identification

• Name: Adenylyl-(3'-5')-2'-deoxy-2'-fluoroguanylyl-(3'-5')adenosine
• Synonyms: [(2R,3R,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-4-Fluoro-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate; [(2R,3R,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3-[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-4-Fluoro-2-Tetrahydrofuranyl]Methyl [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydrofuranyl] Hydrogen Phosphate; [(2R,3R,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-4-Fluoro-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-Methylol-Tetrahydrofuran-3-Yl] Hydrogen Phosphate
• Molecular Formula: C₃₀H₃₆FN₁₅O₁₆P₂
• Molecular Weight: 943.65
• CAS Registry Number: 131889-16-2
• SMILES: [C@H]4(O[C@@H]([C@@H](O[P](OC[C@H]3O[C@@H]([N]1C2=C(N=C1)C(=NC=N2)N)[C@H](O)[C@@H]3O)(=O)O)[C@H]4F)CO[P](O[C@H]5[C@@H](O)[C@@H](O[C@@H]5CO)[N]6C7=C(N=C6)C(=NC=N7)N)(=O)O)[N]8C9=C(N=C8)C(=O)N=C(N9)N
• InChI: 1S/C30H36FN15O16P2/c31-12-19(61-63(52,53)56-2-10-16(48)17(49)28(59-10)44-6-39-13-21(32)35-4-37-23(13)44)11(60-27(12)46-8-41-15-25(46)42-30(34)43-26(15)51)3-57-64(54,55)62-20-9(1-47)58-29(18(20)50)45-7-40-14-22(33)36-5-38-24(14)45/h4-12,16-20,27-29,47-50H,1-3H2,(H,52,53)(H,54,55)(H2,32,35,37)(H2,33,36,38)(H3,34,42,43,51)/t9-,10-,11-,12-,16-,17-,18-,19-,20-,27-,28-,29-/m1/s1
• InChIKey: VFPPSDRYXZDNOL-KUUMISFHSA-N

Properties

• Density: 2.444g/cm³ (Cal.)