2-[(2R,3R,4R,5R)-4-acetyloxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-(phenylcarbonyloxy)oxolan-2-yl]ethyl-[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]oxolan-3-yl]oxy-phosphinic acid

Systemtic Name: 2-[(2R,3R,4R,5R)-4-acetyloxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-(phenylcarbonyloxy)oxolan-2-yl]ethyl-[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]oxolan-3-yl]oxy-phosphinic acid Openeye Name: 2-[(2R,3R,4R,5R)-4-acetoxy-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl-[(2R,3R,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-phosphinic acid CAS Name: 2-[(2R,3R,4R,5R)-4-acetyloxy-3-benzoyloxy-5-(2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]ethyl-[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-oxolanyl]oxy]phosphinic acid IUPAC Name: 2-[(2R,3R,4R,5R)-4-acetyloxy-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl-[(2R,3R,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl]oxyphosphinic acid Traditional Name: 2-[(2R,3R,4R,5R)-4-acetoxy-3-benzoyloxy-5-(2,4-diketopyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl-[(2R,3R,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-phosphinic acid Formula: C55H62N7O15PSi MolecularWeight: 1120.177941

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC1N2C=CC(=O)NC2=O)CCP(=O)(O)OC3C(OC(C3O[Si](C)(C)C(C)(C)C)N4C=NC5=C4NC(=NC5=O)N)COC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=C(C=C8)OC)OC(=O)C9=CC=CC=C9

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CCP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O[Si](C)(C)C(C)(C)C)N4C=NC5=C4NC(=NC5=O)N)COC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=C(C=C8)OC)OC(=O)C9=CC=CC=C9

InChI

InChI=1S/C55H62N7O15PSi/c1-33(63)72-45-43(75-51(66)34-17-11-8-12-18-34)39(73-49(45)61-29-27-41(64)58-53(61)67)28-30-78(68,69)76-44-40(74-50(46(44)77-79(6,7)54(2,3)4)62-32-57-42-47(62)59-52(56)60-48(42)65)31-71-55(35-19-13-9-14-20-35,36-21-15-10-16-22-36)37-23-25-38(70-5)26-24-37/h8-27,29,32,39-40,43-46,49-50H,28,30-31H2,1-7H3,(H,68,69)(H,58,64,67)(H3,56,59,60,65)/t39-,40-,43-,44-,45-,46-,49-,50-/m1/s1