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

Structural Information

Molecular Formula

C₁₅₈H₁₉₅N₇₀O₇₉P₁₅S₁₅

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=O)(OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)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)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C158H195N70O79P15S15/c1-55-23-215(157(245)211-133(55)231)94-11-61(296-312(251,327)266-29-77-62(12-95(281-77)216-24-56(2)134(232)212-158(216)246)297-313(252,328)270-35-83-68(18-102(287-83)224-50-184-114-128(224)196-150(168)206-140(114)238)304-320(259,335)275-38-86-70(20-104(290-86)226-52-186-116-130(226)198-152(170)208-142(116)240)305-318(257,333)272-33-81-65(15-99(285-81)221-47-181-111-125(221)193-147(165)203-137(111)235)298-308(247,323)262-26-74-57(230)7-91(278-74)219-45-179-109-123(219)191-145(163)201-135(109)233)78(282-94)30-267-315(254,330)301-66-16-100(222-48-182-112-126(222)194-148(166)204-138(112)236)289-85(66)37-273-321(260,336)306-71-21-105(227-53-187-117-131(227)199-153(171)209-143(117)241)292-88(71)40-276-322(261,337)307-72-22-106(228-54-188-118-132(228)200-154(172)210-144(118)242)291-87(72)39-274-319(258,334)303-67-17-101(223-49-183-113-127(223)195-149(167)205-139(113)237)286-82(67)34-269-311(250,326)295-60-10-93(214-6-4-90(160)190-156(214)244)279-75(60)27-264-310(249,325)294-59-9-92(213-5-3-89(159)189-155(213)243)280-76(59)28-265-314(253,329)299-64-14-97(218-44-178-108-120(162)174-42-176-122(108)218)284-80(64)32-268-317(256,332)302-69-19-103(225-51-185-115-129(225)197-151(169)207-141(115)239)288-84(69)36-271-316(255,331)300-63-13-96(217-43-177-107-119(161)173-41-175-121(107)217)283-79(63)31-263-309(248,324)293-58-8-98(277-73(58)25-229)220-46-180-110-124(220)192-146(164)202-136(110)234/h3-6,23-24,41-54,57-88,91-106,229-230H,7-22,25-40H2,1-2H3,(H,247,323)(H,248,324)(H,249,325)(H,250,326)(H,251,327)(H,252,328)(H,253,329)(H,254,330)(H,255,331)(H,256,332)(H,257,333)(H,258,334)(H,259,335)(H,260,336)(H,261,337)(H2,159,189,243)(H2,160,190,244)(H2,161,173,175)(H2,162,174,176)(H,211,231,245)(H,212,232,246)(H3,163,191,201,233)(H3,164,192,202,234)(H3,165,193,203,235)(H3,166,194,204,236)(H3,167,195,205,237)(H3,168,196,206,238)(H3,169,197,207,239)(H3,170,198,208,240)(H3,171,199,209,241)(H3,172,200,210,242)

InChIKey

XOFDUYXHXUZFGA-UHFFFAOYSA-N

Compound name

1-[5-[[[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-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-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]-5-(6-aminopurin-9-yl)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]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]-4-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16133557