[[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] [2-[1-(3-Carbamoylpyridin-1-Ium-1-Yl)-2-Oxoethoxy]-3-Oxopropyl] Phosphate
[CAS# 117017-91-1]

Identification

• Name: [[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] [2-[1-(3-Carbamoylpyridin-1-Ium-1-Yl)-2-Oxoethoxy]-3-Oxopropyl] Phosphate
• Synonyms: [[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [2-[1-(3-Carbamoylpyridin-1-Ium-1-Yl)-2-Oxo-Ethoxy]-3-Oxo-Propyl] Phosphate; [[5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] [2-[1-(3-Carbamoyl-1-Pyridin-1-Iumyl)-2-Oxoethoxy]-3-Oxopropyl] Phosphate; [[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [2-[1-(3-Carbamoylpyridin-1-Ium-1-Yl)-2-Keto-Ethoxy]-3-Keto-Propyl] Phosphate
• Molecular Formula: C₂₁H₂₅N₇O₁₄P₂
• Molecular Weight: 661.41
• CAS Registry Number: 117017-91-1
• SMILES: C1=NC4=C([N]1C2OC(C(O)C2O)CO[P](O[P](OCC(OC([N+]3=CC(=CC=C3)C(=O)N)C=O)C=O)([O-])=O)(=O)O)N=CN=C4N
• InChI: 1S/C21H25N7O14P2/c22-18-15-20(25-9-24-18)28(10-26-15)21-17(32)16(31)13(41-21)8-39-44(36,37)42-43(34,35)38-7-12(5-29)40-14(6-30)27-3-1-2-11(4-27)19(23)33/h1-6,9-10,12-14,16-17,21,31-32H,7-8H2,(H5-,22,23,24,25,33,34,35,36,37)
• InChIKey: YOGISXWKBVTORF-UHFFFAOYSA-N