Adenylyl (2'-5')-Adenylyl-(2'-5')Adenosine Bis-Phosphoramidate
[CAS# 81010-22-2]

Identification

• Name: Adenylyl (2'-5')-Adenylyl-(2'-5')Adenosine Bis-Phosphoramidate
• Synonyms: [(2S,3R,4S,5R)-4-[Amino-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy]Phosphoryl]Oxy-5-(6-Aminopurin-9-Yl)-3-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl]-4-Hydroxy-Tetrahydrofuran-2-Yl]Methoxyphosphonamidic Acid; [(2S,3R,4S,5R)-4-[Amino-[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy]Phosphoryl]Oxy-5-(6-Amino-9-Purinyl)-3-[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl]-4-Hydroxy-2-Tetrahydrofuranyl]Methoxyphosphonamidic Acid; [(2S,3R,4S,5R)-4-[Amino-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy]Phosphoryl]Oxy-5-(6-Aminopurin-9-Yl)-3-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl]-4-Hydroxy-Oxolan-2-Yl]Methoxyphosphonamidic Acid
• Molecular Formula: C₃₀H₃₉N₁₇O₁₄P₂
• Molecular Weight: 923.69
• CAS Registry Number: 81010-22-2
• SMILES: [C@H]1(O[C@@H]([C@H]([C@@]1(O[P](OC[C@H]4O[C@@H]([N]2C3=C(N=C2)C(=NC=N3)N)[C@H](O)[C@@H]4O)(=O)N)O)C[C@H]7O[C@@H]([N]5C6=C(N=C5)C(=NC=N6)N)[C@H](O)[C@@H]7O)CO[P](=O)(O)N)[N]8C9=C(N=C8)C(=NC=N9)N
• InChI: 1S/C30H39N17O14P2/c31-21-14-24(39-4-36-21)45(7-42-14)27-19(50)17(48)11(58-27)1-10-12(2-56-62(34,53)54)60-29(47-9-44-16-23(33)38-6-41-26(16)47)30(10,52)61-63(35,55)57-3-13-18(49)20(51)28(59-13)46-8-43-15-22(32)37-5-40-25(15)46/h4-13,17-20,27-29,48-52H,1-3H2,(H2,35,55)(H2,31,36,39)(H2,32,37,40)(H2,33,38,41)(H3,34,53,54)/t10-,11-,12-,13-,17-,18-,19-,20-,27-,28-,29-,30+,63?/m1/s1
• InChIKey: MRSOWYPIBMTROY-JDDFFJJZSA-N

Properties

• Density: 2.441g/cm³ (Cal.)