[(2R,3R,4R,5R)-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-5-[[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-(2-chlorophenyl)carbonyloxy-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]oxolan-3-yl]oxymethoxymethyl]-4-phosphonooxy-oxolan-3-yl] 2-chloranylbenzoate

Systemtic Name: [(2R,3R,4R,5R)-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-5-[[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-(2-chlorophenyl)carbonyloxy-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]oxolan-3-yl]oxymethoxymethyl]-4-phosphonooxy-oxolan-3-yl] 2-chloranylbenzoate Openeye Name: [(2R,3R,4R,5R)-5-[[(2R,3R,4R,5R)-4-(2-chlorobenzoyl)oxy-5-(2,4-dioxopyrimidin-1-yl)-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxymethoxymethyl]-2-(2,4-dioxopyrimidin-1-yl)-4-phosphonooxy-tetrahydrofuran-3-yl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [(2R,3R,4R,5R)-5-[[(2R,3R,4R,5R)-4-[(2-chlorophenyl)-oxomethoxy]-5-(2,4-dioxo-1-pyrimidinyl)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-oxolanyl]oxymethoxymethyl]-2-(2,4-dioxo-1-pyrimidinyl)-4-phosphonooxy-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-5-[[(2R,3R,4R,5R)-4-(2-chlorobenzoyl)oxy-5-(2,4-dioxopyrimidin-1-yl)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl]oxymethoxymethyl]-2-(2,4-dioxopyrimidin-1-yl)-4-phosphonooxyoxolan-3-yl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [(2R,3R,4R,5R)-5-[[(2R,3R,4R,5R)-4-(2-chlorobenzoyl)oxy-5-(2,4-diketopyrimidin-1-yl)-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxymethoxymethyl]-2-(2,4-diketopyrimidin-1-yl)-4-phosphonooxy-tetrahydrofuran-3-yl] ester Formula: C53H47Cl2N4O18P MolecularWeight: 1129.836041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(C(C(O4)N5C=CC(=O)NC5=O)OC(=O)C6=CC=CC=C6Cl)OCOCC7C(C(C(O7)N8C=CC(=O)NC8=O)OC(=O)C9=CC=CC=C9Cl)OP(=O)(O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)OC(=O)C6=CC=CC=C6Cl)OCOC[C@@H]7[C@H]([C@H]([C@@H](O7)N8C=CC(=O)NC8=O)OC(=O)C9=CC=CC=C9Cl)OP(=O)(O)O

InChI

InChI=1S/C53H47Cl2N4O18P/c1-69-34-22-20-33(21-23-34)53(31-12-4-2-5-13-31,32-14-6-3-7-15-32)72-29-40-43(45(75-49(62)35-16-8-10-18-37(35)54)47(74-40)58-26-24-41(60)56-51(58)64)71-30-70-28-39-44(77-78(66,67)68)46(76-50(63)36-17-9-11-19-38(36)55)48(73-39)59-27-25-42(61)57-52(59)65/h2-27,39-40,43-48H,28-30H2,1H3,(H,56,60,64)(H,57,61,65)(H2,66,67,68)/t39-,40-,43-,44-,45-,46-,47-,48-/m1/s1