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[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-methoxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-methoxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2R,3S,4R,5R)-5-[2-(dimethylamino)-7-methyl-6-oxidanylidene-3H-purin-9-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate iodide

Systemtic Name:	[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-methoxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-methoxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2R,3S,4R,5R)-5-[2-(dimethylamino)-7-methyl-6-oxidanylidene-3H-purin-9-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate iodide
Openeye Name:	[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-methoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[(2R,3S,4R,5R)-5-[2-(dimethylamino)-7-methyl-6-oxo-3H-purin-9-ium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate iodide
CAS Name:	[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxo-1-pyrimidinyl)-4-methoxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [[(2R,3S,4R,5R)-5-[2-(dimethylamino)-7-methyl-6-oxo-3H-purin-9-ium-9-yl]-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] hydrogen phosphate iodide
IUPAC Name:	[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[(2R,3S,4R,5R)-5-[2-(dimethylamino)-7-methyl-6-oxo-3H-purin-9-ium-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate iodide
Traditional Name:	[[(2R,3R,4R,5R)-5-adenin-9-yl-3-[[(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-adenin-9-yl-4-[tert-butyl(dimethyl)silyl]oxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-diketopyrimidin-1-yl)-4-methoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-methoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[(2R,3S,4R,5R)-5-[2-(dimethylamino)-6-keto-7-methyl-3H-purin-9-ium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate iodide
Formula:	C₅₀H₇₆IN₁₇O₃₄P₆Si
MolecularWeight:	1800.064476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[Si](C)(C)OC1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)OC4C(OC(C4OC)N5C=CC(=O)NC5=O)COP(=O)(O)OC6C(OC(C6OC)N7C=NC8=C7N=CN=C8N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC9C(C(C(O9)[N+]1=CN(C2=C1NC(=NC2=O)N(C)C)C)O)O)OP(=O)(O)O.[I-]

Isomeric SMILES

CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)COP(=O)(O)O[C@@H]4[C@H](O[C@H]([C@@H]4OC)N5C=CC(=O)NC5=O)COP(=O)(O)O[C@@H]6[C@H](O[C@H]([C@@H]6OC)N7C=NC8=C7N=CN=C8N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]9[C@H]([C@H]([C@@H](O9)[N+]1=CN(C2=C1NC(=NC2=O)N(C)C)C)O)O)OP(=O)(O)O.[I-]

InChI

InChI=1S/C50H75N17O34P6Si.HI/c1-50(2,3)108(9,10)99-37-34(96-102(73,74)75)25(95-47(37)66-20-58-28-39(52)54-18-56-41(28)66)15-89-104(78,79)97-32-23(93-45(35(32)86-7)64-12-11-26(68)59-49(64)72)14-88-103(76,77)98-33-24(94-46(36(33)87-8)65-19-57-27-38(51)53-17-55-40(27)65)16-91-106(82,83)101-107(84,85)100-105(80,81)90-13-22-30(69)31(70)44(92-22)67-21-63(6)29-42(67)60-48(62(4)5)61-43(29)71;/h11-12,17-25,30-37,44-47,69-70H,13-16H2,1-10H3,(H12-,51,52,53,54,55,56,59,60,61,68,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85);1H/t22-,23-,24-,25-,30-,31-,32-,33-,34-,35-,36-,37-,44-,45-,46-,47-;/m1./s1

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