[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-(acetyloxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl]oxy-(4-methylphenoxy)-oxidanylidene-phosphanium

Systemtic Name: [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-(acetyloxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl]oxy-(4-methylphenoxy)-oxidanylidene-phosphanium Openeye Name: [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-(acetoxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-5-(2-amino-6-oxo-3H-purin-9-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-3H-purin-9-yl)tetrahydrofuran-3-yl]oxy-(4-methylphenoxy)-oxo-phosphonium CAS Name: [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-(acetyloxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-mercaptophosphoryl]oxymethyl]-5-(2-amino-6-oxo-3H-purin-9-yl)-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-3H-purin-9-yl)-3-oxolanyl]oxy-(4-methylphenoxy)-oxophosphonium IUPAC Name: [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-(acetyloxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-3-yl]oxy-(4-methylphenoxy)-oxophosphanium Traditional Name: [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-(acetoxymethyl)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-mercapto-phosphoryl]oxymethyl]-5-(2-amino-6-keto-3H-purin-9-yl)tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]-5-(2-amino-6-keto-3H-purin-9-yl)tetrahydrofuran-3-yl]oxy-keto-(4-methylphenoxy)phosphonium Formula: C49H59N14O24P4S3+ MolecularWeight: 1448.162204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)O[P+](=O)OC2CC(OC2COP(=S)(O)OC3CC(OC3COP(=O)(OC4CC(OC4COP(=S)(O)OC5CC(OC5COC(=O)C)N6C=C(C(=O)NC6=O)C)N7C=C(C(=O)NC7=O)C)S)N8C=NC9=C8NC(=NC9=O)N)N1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CC1=CC=C(C=C1)O[P+](=O)O[C@H]2C[C@@H](O[C@@H]2COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O[C@H]4C[C@@H](O[C@@H]4COP(=S)(O)O[C@H]5C[C@@H](O[C@@H]5COC(=O)C)N6C=C(C(=O)NC6=O)C)N7C=C(C(=O)NC7=O)C)S)N8C=NC9=C8NC(=NC9=O)N)N1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C49H58N14O24P4S3/c1-21-5-7-25(8-6-21)83-88(71)84-26-9-36(62-19-52-38-40(62)54-46(50)56-44(38)67)80-31(26)16-76-89(72,92)87-29-12-37(63-20-53-39-41(63)55-47(51)57-45(39)68)82-33(29)18-78-91(74,94)86-28-11-35(61-14-23(3)43(66)59-49(61)70)81-32(28)17-77-90(73,93)85-27-10-34(79-30(27)15-75-24(4)64)60-13-22(2)42(65)58-48(60)69/h5-8,13-14,19-20,26-37H,9-12,15-18H2,1-4H3,(H10-,50,51,54,55,56,57,58,59,65,66,67,68,69,70,72,73,74,92,93,94)/p+1/t26-,27-,28-,29-,30+,31+,32+,33+,34+,35+,36+,37+,89?,90?,91?/m0/s1