[(2R,3S,5R)-2-[[[(2S,3S,5R)-2-[(2R)-2-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-4-yl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3S,5R)-2-[[[(2S,3S,5R)-2-[(2R)-2-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-4-yl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] ethanoate Openeye Name: [(2R,3S,5R)-2-[[[(2S,3S,5R)-2-[(2R)-2-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-2-oxo-1,3,2$l^{5}-dioxaphosphinan-4-yl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3S,5R)-2-[[[(2S,3S,5R)-2-[(2R)-2-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy]-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-4-yl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-2-[[[(2S,3S,5R)-2-[(2R)-2-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-2-oxo-1,3,2$l^{5}-dioxaphosphinan-4-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3S,5R)-2-[[[(2S,3S,5R)-2-[(2R)-2-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-2-keto-1,3,2$l^{5}-dioxaphosphorinan-4-yl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl] ester Formula: C58H65N7O22P2 MolecularWeight: 1274.117922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OCCC#N)OC3CC(OC3C4CCOP(=O)(O4)OC5CC(OC5COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)N9C=C(C(=O)NC9=O)C)N1C=C(C(=O)NC1=O)C)OC(=O)C

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCC#N)O[C@H]3C[C@@H](O[C@H]3C4CCO[P@@](=O)(O4)O[C@H]5C[C@@H](O[C@@H]5COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)N9C=C(C(=O)NC9=O)C)N1C=C(C(=O)NC1=O)C)OC(=O)C

InChI

InChI=1S/C58H65N7O22P2/c1-33-28-63(55(70)60-52(33)67)48-25-43(81-36(4)66)47(83-48)32-80-88(73,78-23-10-22-59)87-45-27-50(65-30-35(3)54(69)62-57(65)72)84-51(45)42-21-24-79-89(74,85-42)86-44-26-49(64-29-34(2)53(68)61-56(64)71)82-46(44)31-77-58(37-11-8-7-9-12-37,38-13-17-40(75-5)18-14-38)39-15-19-41(76-6)20-16-39/h7-9,11-20,28-30,42-51H,10,21,23-27,31-32H2,1-6H3,(H,60,67,70)(H,61,68,71)(H,62,69,72)/t42?,43-,44-,45-,46+,47+,48+,49+,50+,51-,88?,89-/m0/s1