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

Structural Information

Molecular Formula

C₂₀₄H₂₅₄N₉₀O₉₉P₂₀S₂₀

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(=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=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)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=CC(=NC1=O)N)O)S

InChI

InChI=1S/C204H254N90O99P20S20/c1-77-35-280(204(312)273-181(77)297)132-20-84(379-400(319,420)347-52-115-95(31-143(369-115)291-73-247-157-177(291)261-194(221)269-186(157)302)389-409(328,429)343-47-110-86(22-134(364-110)282-64-238-148-162(212)226-58-232-168(148)282)382-402(321,422)337-39-102-80(16-128(356-102)276-10-4-122(207)253-200(276)308)375-396(315,416)335-38-101-81(17-129(355-101)277-11-5-123(208)254-201(277)309)377-398(317,418)346-51-114-94(30-142(368-114)290-72-246-156-176(290)260-193(220)268-185(156)301)390-411(330,431)351-56-119-98(34-146(373-119)294-76-250-160-180(294)264-197(224)272-189(160)305)393-413(332,433)352-55-118-97(33-145(372-118)293-75-249-159-179(293)263-196(223)271-188(159)304)391-410(329,430)349-49-112-91(27-139(366-112)287-69-243-153-173(287)257-190(217)265-182(153)298)380-394(313,414)333-37-100-78(296)14-126(354-100)274-8-2-120(205)251-198(274)306)105(359-132)42-339-404(323,424)383-87-23-135(283-65-239-149-163(213)227-59-233-169(149)283)361-107(87)44-340-397(316,417)376-82-18-130(278-12-6-124(209)255-202(278)310)358-104(82)41-338-403(322,423)387-92-28-140(288-70-244-154-174(288)258-191(218)266-183(154)299)371-117(92)54-350-412(331,432)392-96-32-144(292-74-248-158-178(292)262-195(222)270-187(158)303)370-116(96)53-348-407(326,427)386-90-26-138(286-68-242-152-166(216)230-62-236-172(152)286)363-109(90)46-342-405(324,425)384-88-24-136(284-66-240-150-164(214)228-60-234-170(150)284)362-108(88)45-341-406(325,426)385-89-25-137(285-67-241-151-165(215)229-61-235-171(151)285)365-111(89)48-344-408(327,428)388-93-29-141(289-71-245-155-175(289)259-192(219)267-184(155)300)367-113(93)50-345-399(318,419)378-83-19-131(279-13-7-125(210)256-203(279)311)357-103(83)40-336-401(320,421)381-85-21-133(281-63-237-147-161(211)225-57-231-167(147)281)360-106(85)43-334-395(314,415)374-79-15-127(353-99(79)36-295)275-9-3-121(206)252-199(275)307/h2-13,35,57-76,78-119,126-146,295-296H,14-34,36-56H2,1H3,(H,313,414)(H,314,415)(H,315,416)(H,316,417)(H,317,418)(H,318,419)(H,319,420)(H,320,421)(H,321,422)(H,322,423)(H,323,424)(H,324,425)(H,325,426)(H,326,427)(H,327,428)(H,328,429)(H,329,430)(H,330,431)(H,331,432)(H,332,433)(H2,205,251,306)(H2,206,252,307)(H2,207,253,308)(H2,208,254,309)(H2,209,255,310)(H2,210,256,311)(H2,211,225,231)(H2,212,226,232)(H2,213,227,233)(H2,214,228,234)(H2,215,229,235)(H2,216,230,236)(H,273,297,312)(H3,217,257,265,298)(H3,218,258,266,299)(H3,219,259,267,300)(H3,220,260,268,301)(H3,221,261,269,302)(H3,222,262,270,303)(H3,223,263,271,304)(H3,224,264,272,305)

InChIKey

RLRREYCUXHYBOE-UHFFFAOYSA-N

Compound name

1-[4-[[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-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-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-[[[2-[[[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-[[[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]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)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]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16133521