5'-d[cacggggtcgccgat]-3' phosphorothioate oligonucleotide

Structural Information

Molecular Formula

C₁₄₅H₁₈₃N₅₉O₇₄P₁₄S₁₄

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C145H183N59O74P14S14/c1-55-28-195(144(220)188-125(55)207)92-13-57(206)73(251-92)31-236-279(222,293)271-64-20-99(197-47-163-107-115(151)159-45-161-117(107)197)258-80(64)38-243-289(232,303)275-68-24-103(201-51-167-111-121(201)178-135(155)184-129(111)211)260-82(68)40-245-282(225,296)267-60-16-95(192-10-5-89(148)173-141(192)217)252-74(60)32-238-281(224,295)266-59-15-94(191-9-4-88(147)172-140(191)216)255-77(59)35-241-287(230,301)273-66-22-101(199-49-165-109-119(199)176-133(153)182-127(109)209)259-81(66)39-244-283(226,297)268-61-17-96(193-11-6-90(149)174-142(193)218)253-75(61)33-239-285(228,299)270-63-19-98(196-29-56(2)126(208)189-145(196)221)256-78(63)36-242-288(231,302)274-67-23-102(200-50-166-110-120(200)177-134(154)183-128(110)210)262-84(67)42-247-291(234,305)277-70-26-105(203-53-169-113-123(203)180-137(157)186-131(113)213)264-86(70)44-249-292(235,306)278-71-27-106(204-54-170-114-124(204)181-138(158)187-132(114)214)263-85(71)43-248-290(233,304)276-69-25-104(202-52-168-112-122(202)179-136(156)185-130(112)212)261-83(69)41-246-284(227,298)269-62-18-97(194-12-7-91(150)175-143(194)219)254-76(62)34-240-286(229,300)272-65-21-100(198-48-164-108-116(152)160-46-162-118(108)198)257-79(65)37-237-280(223,294)265-58-14-93(250-72(58)30-205)190-8-3-87(146)171-139(190)215/h3-12,28-29,45-54,57-86,92-106,205-206H,13-27,30-44H2,1-2H3,(H,222,293)(H,223,294)(H,224,295)(H,225,296)(H,226,297)(H,227,298)(H,228,299)(H,229,300)(H,230,301)(H,231,302)(H,232,303)(H,233,304)(H,234,305)(H,235,306)(H2,146,171,215)(H2,147,172,216)(H2,148,173,217)(H2,149,174,218)(H2,150,175,219)(H2,151,159,161)(H2,152,160,162)(H,188,207,220)(H,189,208,221)(H3,153,176,182,209)(H3,154,177,183,210)(H3,155,178,184,211)(H3,156,179,185,212)(H3,157,180,186,213)(H3,158,181,187,214)

InChIKey

RAYKJVTZNKIBCU-UHFFFAOYSA-N

Compound name

1-[5-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16133559