[(2R,3R,4R,5R)-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-[2-[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]-1,1-bis(fluoranyl)ethyl]phosphinic acid

Systemtic Name: [(2R,3R,4R,5R)-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-[2-[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]-1,1-bis(fluoranyl)ethyl]phosphinic acid Openeye Name: [(2R,3R,4R,5R)-5-(4-acetamido-2-oxo-pyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]tetrahydrofuran-3-yl]oxy-[2-[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]-1,1-difluoro-ethyl]phosphinic acid CAS Name: [(2R,3R,4R,5R)-5-(4-acetamido-2-oxo-1-pyrimidinyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxolanyl]oxy-[2-[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]-1,1-difluoroethyl]phosphinic acid IUPAC Name: [(2R,3R,4R,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-[2-[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-1,1-difluoroethyl]phosphinic acid Traditional Name: [(2R,3R,4R,5R)-5-(4-acetamido-2-keto-pyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]tetrahydrofuran-3-yl]oxy-[2-[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(2,4-diketopyrimidin-1-yl)tetrahydrofuran-2-yl]-1,1-difluoro-ethyl]phosphinic acid Formula: C47H62F2N5O15PSi2 MolecularWeight: 1062.161247

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO[Si](C)(C)C(C)(C)C)OP(=O)(C(CC3C(C(C(O3)N4C=CC(=O)NC4=O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)(F)F)O)O[Si](C)(C)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)OP(=O)(C(C[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)(F)F)O)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C47H62F2N5O15PSi2/c1-28(55)50-33-22-24-53(43(59)51-33)40-38(69-72(10,11)46(5,6)7)36(32(65-40)27-63-71(8,9)45(2,3)4)68-70(61,62)47(48,49)26-31-35(66-41(57)29-18-14-12-15-19-29)37(67-42(58)30-20-16-13-17-21-30)39(64-31)54-25-23-34(56)52-44(54)60/h12-25,31-32,35-40H,26-27H2,1-11H3,(H,61,62)(H,52,56,60)(H,50,51,55,59)/t31-,32-,35-,36-,37-,38-,39-,40-/m1/s1