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

Structural Information

Molecular Formula

C₁₆₈H₂₀₇N₇₅O₈₄P₁₆S₁₆

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(OC1COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)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/C168H207N75O84P16S16/c1-58-24-229(167(261)225-141(58)246)99-11-64(315-332(267,348)283-30-81-65(12-100(299-81)230-25-59(2)142(247)226-168(230)262)316-333(268,349)288-37-88-72(19-108(306-88)239-53-196-121-136(239)209-160(179)220-149(121)254)324-341(276,357)293-40-91-74(21-110(309-91)241-55-198-123-138(241)211-162(181)222-151(123)256)325-339(274,355)290-35-86-68(15-104(304-86)235-49-192-117-132(235)205-156(175)216-145(117)250)317-328(263,344)279-27-78-60(245)7-96(296-78)233-47-190-115-130(233)203-154(173)214-143(115)248)82(300-99)31-284-335(270,351)320-70-17-106(237-51-194-119-134(237)207-158(177)218-147(119)252)308-90(70)39-291-342(277,358)326-75-22-111(242-56-199-124-139(242)212-163(182)223-152(124)257)311-93(75)42-294-343(278,359)327-76-23-112(243-57-200-125-140(243)213-164(183)224-153(125)258)310-92(76)41-292-340(275,356)323-71-18-107(238-52-195-120-135(238)208-159(178)219-148(120)253)305-87(71)36-287-331(266,347)314-63-10-98(228-6-4-95(170)202-166(228)260)297-79(63)28-281-330(265,346)313-62-9-97(227-5-3-94(169)201-165(227)259)298-80(62)29-282-334(269,350)318-66-13-101(231-45-188-113-126(171)184-43-186-128(113)231)301-83(66)32-286-338(273,354)322-73-20-109(240-54-197-122-137(240)210-161(180)221-150(122)255)307-89(73)38-289-336(271,352)319-67-14-102(232-46-189-114-127(172)185-44-187-129(114)232)302-84(67)33-285-337(272,353)321-69-16-105(236-50-193-118-133(236)206-157(176)217-146(118)251)303-85(69)34-280-329(264,345)312-61-8-103(295-77(61)26-244)234-48-191-116-131(234)204-155(174)215-144(116)249/h3-6,24-25,43-57,60-93,96-112,244-245H,7-23,26-42H2,1-2H3,(H,263,344)(H,264,345)(H,265,346)(H,266,347)(H,267,348)(H,268,349)(H,269,350)(H,270,351)(H,271,352)(H,272,353)(H,273,354)(H,274,355)(H,275,356)(H,276,357)(H,277,358)(H,278,359)(H2,169,201,259)(H2,170,202,260)(H2,171,184,186)(H2,172,185,187)(H,225,246,261)(H,226,247,262)(H3,173,203,214,248)(H3,174,204,215,249)(H3,175,205,216,250)(H3,176,206,217,251)(H3,177,207,218,252)(H3,178,208,219,253)(H3,179,209,220,254)(H3,180,210,221,255)(H3,181,211,222,256)(H3,182,212,223,257)(H3,183,213,224,258)

InChIKey

NJMCPZCPUPKNJL-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-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]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 16133553