(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxymethyl]-2-[3-(2-Chloroacetyl)Pyridin-1-Ium-1-Yl]-4-Hydroxyoxolan-3-Olate
[CAS# 39938-03-9]

Identification

• Name: (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxymethyl]-2-[3-(2-Chloroacetyl)Pyridin-1-Ium-1-Yl]-4-Hydroxyoxolan-3-Olate
• Synonyms: (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-2-[3-(2-Chloroacetyl)Pyridin-1-Ium-1-Yl]-4-Hydroxy-Tetrahydrofuran-3-Olate; (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxymethyl]-2-[3-(2-Chloro-1-Oxoethyl)-1-Pyridin-1-Iumyl]-4-Hydroxy-3-Tetrahydrofuranolate; (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-2-[3-(2-Chloroethanoyl)Pyridin-1-Ium-1-Yl]-4-Hydroxy-Oxolan-3-Olate
• Molecular Formula: C₂₂H₂₇ClN₆O₁₄P₂
• Molecular Weight: 696.89
• CAS Registry Number: 39938-03-9
• 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(=CC=C2)C(=O)CCl)[C@H]([O-])[C@@H]3O)(=O)O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C22H27ClN6O14P2/c23-4-11(30)10-2-1-3-28(5-10)21-17(33)15(31)12(41-21)6-39-44(35,36)43-45(37,38)40-7-13-16(32)18(34)22(42-13)29-9-27-14-19(24)25-8-26-20(14)29/h1-3,5,8-9,12-13,15-18,21-22,31-32,34H,4,6-7H2,(H,35,36)(H,37,38)(H2,24,25,26)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
• InChIKey: CLRURTWFYZNXCP-RBEMOOQDSA-N