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

Structural Information

Molecular Formula

C₂₀₃H₂₅₆N₈₂O₁₀₂P₂₀S₂₀

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(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)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=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)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=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C203H256N82O102P20S20/c1-79-39-272(201(304)262-179(79)288)131-18-82(287)104(348-131)43-327-388(307,408)378-93-29-142(276-69-233-153-164(212)223-64-228-169(153)276)358-114(93)53-337-393(312,413)373-90-26-138(271-17-10-130(210)249-200(271)303)354-110(90)49-333-398(317,418)377-92-28-140(274-41-81(3)181(290)264-203(274)306)357-113(92)52-336-401(320,421)383-98-34-147(281-74-238-158-174(281)251-189(217)257-183(158)292)363-119(98)58-342-396(315,416)375-89-25-137(270-16-9-129(209)248-199(270)302)352-108(89)47-331-391(310,411)370-85-21-133(266-12-5-125(205)244-195(266)298)353-109(85)48-332-397(316,417)376-91-27-139(273-40-80(2)180(289)263-202(273)305)356-112(91)51-335-400(319,420)379-94-30-143(277-70-234-154-165(213)224-65-229-170(154)277)360-116(94)55-339-402(321,422)380-96-32-145(279-72-236-156-167(215)226-67-231-172(156)279)361-117(96)56-340-404(323,424)384-99-35-148(282-75-239-159-175(282)252-190(218)258-184(159)293)365-121(99)60-344-406(325,426)386-101-37-150(284-77-241-161-177(284)254-192(220)260-186(161)295)367-123(101)62-346-407(326,427)387-102-38-151(285-78-242-162-178(285)255-193(221)261-187(162)296)366-122(102)61-345-405(324,425)385-100-36-149(283-76-240-160-176(283)253-191(219)259-185(160)294)364-120(100)59-343-403(322,423)381-95-31-144(278-71-235-155-166(214)225-66-230-171(155)278)359-115(95)54-338-394(313,414)372-87-23-135(268-14-7-127(207)246-197(268)300)350-106(87)45-330-392(311,412)371-86-22-134(267-13-6-126(206)245-196(267)299)355-111(86)50-334-399(318,419)382-97-33-146(280-73-237-157-173(280)250-188(216)256-182(157)291)362-118(97)57-341-395(314,415)374-88-24-136(269-15-8-128(208)247-198(269)301)351-107(88)46-329-390(309,410)369-84-20-132(265-11-4-124(204)243-194(265)297)349-105(84)44-328-389(308,409)368-83-19-141(347-103(83)42-286)275-68-232-152-163(211)222-63-227-168(152)275/h4-17,39-41,63-78,82-123,131-151,286-287H,18-38,42-62H2,1-3H3,(H,307,408)(H,308,409)(H,309,410)(H,310,411)(H,311,412)(H,312,413)(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)(H2,204,243,297)(H2,205,244,298)(H2,206,245,299)(H2,207,246,300)(H2,208,247,301)(H2,209,248,302)(H2,210,249,303)(H2,211,222,227)(H2,212,223,228)(H2,213,224,229)(H2,214,225,230)(H2,215,226,231)(H,262,288,304)(H,263,289,305)(H,264,290,306)(H3,216,250,256,291)(H3,217,251,257,292)(H3,218,252,258,293)(H3,219,253,259,294)(H3,220,254,260,295)(H3,221,255,261,296)

InChIKey

DKFBUDGACGDRJV-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133523