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

Structural Information

Molecular Formula

C₁₉₈H₂₄₄N₈₃O₁₀₁P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3CO)N4C=NC5=C4N=C(NC5=O)N)OP(=S)(O)OCC6C(CC(O6)N7C=C(C(=O)NC7=O)C)OP(=S)(O)OCC8C(CC(O8)N9C=NC1=C9N=C(NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=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)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)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=CNC2=O)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C198H244N83O101P19S19/c1-70-29-264(195(302)258-166(70)284)119-13-78(98(348-119)37-326-384(307,403)364-75-10-126(344-94(75)33-282)272-60-224-140-156(272)237-183(204)248-172(140)290)367-387(310,406)329-38-99-80(15-121(349-99)266-31-72(3)168(286)260-197(266)304)369-389(312,408)336-45-106-87(22-129(356-106)275-63-227-143-159(275)240-186(207)251-175(143)293)379-398(321,417)340-49-110-90(25-132(360-110)278-66-230-146-162(278)243-189(210)254-178(146)296)376-395(318,414)333-42-103-83(18-124(353-103)269-57-221-137-151(202)215-54-217-153(137)269)373-393(316,412)338-47-108-89(24-131(358-108)277-65-229-145-161(277)242-188(209)253-177(145)295)375-394(317,413)332-41-102-82(17-123(352-102)268-56-220-136-150(201)214-53-216-152(136)268)372-391(314,410)328-36-97-76(11-117(347-97)262-7-5-114(199)234-193(262)300)365-385(308,404)327-35-96-77(12-118(346-96)263-8-6-115(200)235-194(263)301)366-386(309,405)335-44-105-86(21-128(355-105)274-62-226-142-158(274)239-185(206)250-174(142)292)378-397(320,416)342-51-112-93(28-135(362-112)281-69-233-149-165(281)246-192(213)257-181(149)299)382-401(324,420)343-52-113-92(27-134(363-113)280-68-232-148-164(280)245-191(212)256-180(148)298)381-400(323,419)339-48-109-85(20-127(359-109)273-61-225-141-157(273)238-184(205)249-173(141)291)374-392(315,411)331-40-101-79(14-120(351-101)265-30-71(2)167(285)259-196(265)303)368-388(311,407)330-39-100-81(16-122(350-100)267-32-73(4)169(287)261-198(267)305)370-390(313,409)337-46-107-88(23-130(357-107)276-64-228-144-160(276)241-187(208)252-176(144)294)380-399(322,418)341-50-111-91(26-133(361-111)279-67-231-147-163(279)244-190(211)255-179(147)297)377-396(319,415)334-43-104-84(19-125(354-104)270-58-222-138-154(270)218-55-219-170(138)288)371-383(306,402)325-34-95-74(283)9-116(345-95)271-59-223-139-155(271)236-182(203)247-171(139)289/h5-8,29-32,53-69,74-113,116-135,282-283H,9-28,33-52H2,1-4H3,(H,306,402)(H,307,403)(H,308,404)(H,309,405)(H,310,406)(H,311,407)(H,312,408)(H,313,409)(H,314,410)(H,315,411)(H,316,412)(H,317,413)(H,318,414)(H,319,415)(H,320,416)(H,321,417)(H,322,418)(H,323,419)(H,324,420)(H2,199,234,300)(H2,200,235,301)(H2,201,214,216)(H2,202,215,217)(H,218,219,288)(H,258,284,302)(H,259,285,303)(H,260,286,304)(H,261,287,305)(H3,203,236,247,289)(H3,204,237,248,290)(H3,205,238,249,291)(H3,206,239,250,292)(H3,207,240,251,293)(H3,208,241,252,294)(H3,209,242,253,295)(H3,210,243,254,296)(H3,211,244,255,297)(H3,212,245,256,298)(H3,213,246,257,299)

InChIKey

QPCOKNYSBVMDCE-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133566