Adenylyl-(3'-5')-adenylyl-(3'-5')-guanosine
[CAS# 2099-88-9]

Identification

• Name: Adenylyl-(3'-5')-adenylyl-(3'-5')-guanosine
• Synonyms: [(2R,3R,4R,5S)-2-(2-Amino-6-Oxo-3H-Purin-9-Yl)-5-[2-[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-1-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy]Ethyl]-4-Hydroxy-Tetrahydrofuran-3-Yl] Dihydrogen Phosphate; [(2R,3R,4R,5S)-2-(2-Amino-6-Oxo-3H-Purin-9-Yl)-5-[2-[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]-1-[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-3-Phosphonooxy-2-Tetrahydrofuranyl]Methoxy]Ethyl]-4-Hydroxy-3-Tetrahydrofuranyl] Dihydrogen Phosphate; [(2R,3R,4R,5S)-2-(2-Amino-6-Keto-3H-Purin-9-Yl)-5-[2-[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-1-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy]Ethyl]-4-Hydroxy-Tetrahydrofuran-3-Yl] Dihydrogen Phosphate
• Molecular Formula: C₃₀H₃₇N₁₅O₁₇P₂
• Molecular Weight: 941.66
• CAS Registry Number: 2099-88-9
• SMILES: [C@@H]3(O[C@@H]([N]1C2=C(N=C1)C(=O)N=C(N2)N)[C@H](O[P](O)(O)=O)[C@@H]3O)C(OC[C@H]6O[C@@H]([N]5C4=NC=NC(=C4N=C5)N)[C@H](O)[C@@H]6O[P](O)(O)=O)C[C@H]9O[C@@H]([N]8C7=NC=NC(=C7N=C8)N)[C@H](O)[C@@H]9O
• InChI: 1S/C30H37N15O17P2/c31-21-11-23(36-3-34-21)43(5-38-11)27-15(47)14(46)8(58-27)1-9(18-16(48)20(62-64(54,55)56)29(60-18)45-7-40-13-25(45)41-30(33)42-26(13)50)57-2-10-19(61-63(51,52)53)17(49)28(59-10)44-6-39-12-22(32)35-4-37-24(12)44/h3-10,14-20,27-29,46-49H,1-2H2,(H2,31,34,36)(H2,32,35,37)(H2,51,52,53)(H2,54,55,56)(H3,33,41,42,50)/t8-,9?,10-,14-,15-,16-,17-,18-,19-,20-,27-,28-,29-/m1/s1
• InChIKey: JHTGPLDEBYQXJH-OERBZGCCSA-N