S-[2-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethyl]oxolan-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethyl]oxolan-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phospho

Systemtic Name: S-[2-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethyl]oxolan-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethyl]oxolan-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phospho Openeye Name: S-[2-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-[2-(2,2-dimethylpropanoy CAS Name: 2,2-dimethylpropanethioic acid S-[2-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[2-[(2,2-dimethyl-1-oxopropyl)thio]ethoxy-[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy]phosphoryl]oxymethyl]-3-oxolanyl]oxy-[2-[(2,2-dimethyl-1-oxopropyl)thio]ethoxy]phosphoryl]oxymethyl]-3-oxolanyl]oxy-[2-[(2,2-dimethyl-1-oxopropyl)thio]ethoxy]phosphoryl]oxymethyl]-3-oxolanyl]oxy-[2-[(2,2-dimethyl-1-oxopro IUPAC Name: S-[2-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethyl]oxolan-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethyl]oxolan-3-yl]oxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxymethyl] Traditional Name: 2,2-dimethylpropanethioic acid S-[2-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-adenin-9-yl-2-[[[(2R,3S,5R)-5-adenin-9-yl-2-[[[(2R,3S,5R)-5-adenin-9-yl-2-[[[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-[2-(pivaloylthio)ethoxy]phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-[2-(pivaloylthio)ethoxy]phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-[2-(pivaloylthio)ethoxy]phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-[2-(pivaloylthio)ethoxy]phosphoryl]oxymethyl]-5-(2,4-diketo-5-methyl-pyr Formula: C85H124N19O35P5S5 MolecularWeight: 2287.194165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(OCCSC(=O)C(C)(C)C)OCC3C(CC(O3)N4C=NC5=C4N=CN=C5N)OP(=O)(OCCSC(=O)C(C)(C)C)OCC6C(CC(O6)N7C=NC8=C7N=CN=C8N)OP(=O)(OCCSC(=O)C(C)(C)C)OCC9C(CC(O9)N1C=NC2=C1N=CN=C2N)OP(=O)(OCCSC(=O)C(C)(C)C)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCCSC(=O)C(C)(C)C

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C4N=CN=C5N)OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C7N=CN=C8N)OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]9[C@H](C[C@@H](O9)N1C=NC2=C1N=CN=C2N)OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCCSC(=O)C(C)(C)C

InChI

InChI=1S/C85H124N19O35P5S5/c1-46-33-100(79(113)98-72(46)106)58-28-48(53(35-105)130-58)136-141(117,122-19-24-146-75(109)82(6,7)8)127-37-55-50(30-60(132-55)102-43-95-63-66(86)89-40-92-69(63)102)138-143(119,124-21-26-148-77(111)84(12,13)14)129-39-57-52(32-62(134-57)104-45-97-65-68(88)91-42-94-71(65)104)139-144(120,125-22-27-149-78(112)85(15,16)17)128-38-56-51(31-61(133-56)103-44-96-64-67(87)90-41-93-70(64)103)137-142(118,123-20-25-147-76(110)83(9,10)11)126-36-54-49(29-59(131-54)101-34-47(2)73(107)99-80(101)114)135-140(115,116)121-18-23-145-74(108)81(3,4)5/h33-34,40-45,48-62,105H,18-32,35-39H2,1-17H3,(H,115,116)(H2,86,89,92)(H2,87,90,93)(H2,88,91,94)(H,98,106,113)(H,99,107,114)/t48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,141?,142?,143?,144?/m0/s1