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

Structural Information

Molecular Formula

C₁₉₆H₂₄₆N₇₇O₁₀₁P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)N6C=CC(=NC6=O)N)OP(=S)(O)OCC7C(CC(O7)N8C=NC9=C8N=C(NC9=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=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=C(N=CN=C21)N)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=CC(=NC1=O)N)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=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=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

InChI=1S/C196H246N77O101P19S19/c1-73-34-258(192(293)249-167(73)276)126-18-82(102(340-126)43-320-377(300,396)357-80-16-124(256-12-8-120(199)231-190(256)291)338-100(80)41-318-376(299,395)356-79-15-123(336-98(79)39-274)255-11-7-119(198)230-189(255)290)360-380(303,399)330-53-112-93(29-137(350-112)269-68-224-148-162(269)236-183(207)244-175(148)284)371-390(313,409)333-56-115-95(31-139(353-115)271-70-226-150-164(271)238-185(209)246-177(150)286)370-389(312,408)327-50-109-89(25-133(347-109)265-64-220-144-155(203)214-61-217-158(144)265)366-386(309,405)323-46-105-86(22-130(343-105)262-38-77(5)171(280)253-196(262)297)363-383(306,402)329-52-111-92(28-136(349-111)268-67-223-147-161(268)235-182(206)243-174(147)283)369-388(311,407)326-49-108-88(24-132(346-108)264-63-219-143-154(202)213-60-216-157(143)264)365-385(308,404)322-45-104-85(21-129(342-104)261-37-76(4)170(279)252-195(261)296)362-382(305,401)328-51-110-90(26-134(348-110)266-65-221-145-159(266)233-180(204)241-172(145)281)367-384(307,403)319-42-101-81(17-125(339-101)257-13-9-121(200)232-191(257)292)358-378(301,397)321-44-103-83(19-127(341-103)259-35-74(2)168(277)250-193(259)294)361-381(304,400)331-54-113-94(30-138(351-113)270-69-225-149-163(270)237-184(208)245-176(149)285)372-391(314,410)334-57-116-97(33-141(354-116)273-72-228-152-166(273)240-187(211)248-179(152)288)374-393(316,412)335-58-117-96(32-140(355-117)272-71-227-151-165(272)239-186(210)247-178(151)287)373-392(315,411)332-55-114-91(27-135(352-114)267-66-222-146-160(267)234-181(205)242-173(146)282)368-387(310,406)324-47-106-84(20-128(344-106)260-36-75(3)169(278)251-194(260)295)359-379(302,398)325-48-107-87(23-131(345-107)263-62-218-142-153(201)212-59-215-156(142)263)364-375(298,394)317-40-99-78(275)14-122(337-99)254-10-6-118(197)229-188(254)289/h6-13,34-38,59-72,78-117,122-141,274-275H,14-33,39-58H2,1-5H3,(H,298,394)(H,299,395)(H,300,396)(H,301,397)(H,302,398)(H,303,399)(H,304,400)(H,305,401)(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)(H2,197,229,289)(H2,198,230,290)(H2,199,231,291)(H2,200,232,292)(H2,201,212,215)(H2,202,213,216)(H2,203,214,217)(H,249,276,293)(H,250,277,294)(H,251,278,295)(H,252,279,296)(H,253,280,297)(H3,204,233,241,281)(H3,205,234,242,282)(H3,206,235,243,283)(H3,207,236,244,284)(H3,208,237,245,285)(H3,209,238,246,286)(H3,210,239,247,287)(H3,211,240,248,288)

InChIKey

FGKBEFCPHHUMAD-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133534