[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3,4-Dimethylpyridin-1-Ium-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Phosphate
[CAS# 102686-21-5]

Identification

• Name: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3,4-Dimethylpyridin-1-Ium-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Phosphate
• Synonyms: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(3,4-Dimethylpyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphate; [[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3,4-Dimethyl-1-Pyridin-1-Iumyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Phosphate; [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(3,4-Dimethylpyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl Phosphate
• Molecular Formula: C₂₂H₃₀N₆O₁₃P₂
• Molecular Weight: 648.46
• CAS Registry Number: 102686-21-5
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](OC[C@H]3O[C@@H]([N+]2=CC(=C(C=C2)C)C)[C@H](O)[C@@H]3O)([O-])=O)(=O)O)[N]5C4=NC=NC(=C4N=C5)N
• InChI: 1S/C22H30N6O13P2/c1-10-3-4-27(5-11(10)2)21-17(31)15(29)12(39-21)6-37-42(33,34)41-43(35,36)38-7-13-16(30)18(32)22(40-13)28-9-26-14-19(23)24-8-25-20(14)28/h3-5,8-9,12-13,15-18,21-22,29-32H,6-7H2,1-2H3,(H3-,23,24,25,33,34,35,36)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
• InChIKey: NDJMRNDYWSNOQN-RBEMOOQDSA-N