[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-[[[(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl] 2-(4-nitrophenyl)ethanesulfonate

Systemtic Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-[[[(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl] 2-(4-nitrophenyl)ethanesulfonate Openeye Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-2-[[[(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-(4-nitrophenyl)ethanesulfonate CAS Name: 2-(4-nitrophenyl)ethanesulfonic acid [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-2-[[[(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-[[[(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] 2-(4-nitrophenyl)ethanesulfonate Traditional Name: 2-(4-nitrophenyl)ethanesulfonic acid [(2R,3R,4R,5R)-5-adenin-9-yl-4-[[(2R,3S,4R,5R)-5-adenin-9-yl-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-2-[[[(2R,3R,5S)-2-adenin-9-yl-5-methylol-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester Formula: C44H58N16O19P2SSi MolecularWeight: 1237.125142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[Si](C)(C)OC1C(OC(C1O)N2C=NC3=C2N=CN=C3N)COP(=O)(O)OC4C(C(OC4N5C=NC6=C5N=CN=C6N)COP(=O)(O)OC7CC(OC7N8C=NC9=C8N=CN=C9N)CO)OS(=O)(=O)CCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=CN=C3N)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=NC6=C5N=CN=C6N)COP(=O)(O)O[C@@H]7C[C@H](O[C@H]7N8C=NC9=C8N=CN=C9N)CO)OS(=O)(=O)CCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C44H58N16O19P2SSi/c1-44(2,3)83(4,5)79-32-26(74-42(31(32)62)58-20-55-29-36(46)49-17-52-39(29)58)14-72-81(67,68)77-34-33(78-82(69,70)11-10-22-6-8-23(9-7-22)60(63)64)27(75-43(34)59-21-56-30-37(47)50-18-53-40(30)59)15-71-80(65,66)76-25-12-24(13-61)73-41(25)57-19-54-28-35(45)48-16-51-38(28)57/h6-9,16-21,24-27,31-34,41-43,61-62H,10-15H2,1-5H3,(H,65,66)(H,67,68)(H2,45,48,51)(H2,46,49,52)(H2,47,50,53)/t24-,25+,26+,27+,31+,32+,33+,34+,41+,42+,43+/m0/s1