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

Structural Information

Molecular Formula

C₂₀₃H₂₅₆N₈₂O₁₀₄P₂₀S₂₀

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=S)(O)OCC3C(CC(O3)N4C=NC5=C4N=C(NC5=O)N)OP(=O)(OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=S)(O)OCC9C(CC(O9)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=NC2=C(N=CN=C21)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=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=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=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=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=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=CC(=NC1=O)N)O)S

InChI

InChI=1S/C203H256N82O104P20S20/c1-77-39-272(201(306)262-175(77)288)136-19-81(101(42-286)349-136)370-391(310,411)330-55-114-94(32-143(362-114)279-70-232-154-168(279)247-187(215)255-179(154)292)386-408(327,428)347-62-121-100(38-149(369-121)285-76-238-160-174(285)253-193(221)261-185(160)298)389-409(328,429)348-61-120-96(34-145(368-120)281-72-234-156-170(281)249-189(217)257-181(156)294)384-404(323,424)336-49-108-85(23-133(356-108)269-15-8-126(208)243-198(269)303)374-395(314,415)340-53-112-91(29-140(360-112)276-67-229-151-162(212)223-64-226-165(151)276)381-400(319,420)333-46-105-86(24-134(353-105)270-16-9-127(209)244-199(270)304)375-396(315,416)342-57-116-97(35-146(364-116)282-73-235-157-171(282)250-190(218)258-182(157)295)385-405(324,425)338-51-110-89(27-138(358-110)274-41-79(3)177(290)264-203(274)308)378-399(318,419)344-59-118-95(33-144(366-118)280-71-233-155-169(280)248-188(216)256-180(155)293)383-403(322,423)335-48-107-82(20-130(355-107)266-12-5-123(205)240-195(266)300)371-392(311,412)331-44-103-83(21-131(351-103)267-13-6-124(206)241-196(267)301)372-393(312,413)337-50-109-88(26-137(357-109)273-40-78(2)176(289)263-202(273)307)377-398(317,418)345-60-119-99(37-148(367-119)284-75-237-159-173(284)252-192(220)260-184(159)297)387-406(325,426)341-54-113-92(30-141(361-113)277-68-230-152-163(213)224-65-227-166(152)277)382-402(321,422)332-45-104-84(22-132(352-104)268-14-7-125(207)242-197(268)302)373-394(313,414)339-52-111-90(28-139(359-111)275-66-228-150-161(211)222-63-225-164(150)275)380-401(320,421)334-47-106-87(25-135(354-106)271-17-10-128(210)245-200(271)305)376-397(316,417)343-58-117-98(36-147(365-117)283-74-236-158-172(283)251-191(219)259-183(158)296)388-407(326,427)346-56-115-93(31-142(363-115)278-69-231-153-167(278)246-186(214)254-178(153)291)379-390(309,410)329-43-102-80(287)18-129(350-102)265-11-4-122(204)239-194(265)299/h4-17,39-41,63-76,80-121,129-149,286-287H,18-38,42-62H2,1-3H3,(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)(H,327,428)(H,328,429)(H2,204,239,299)(H2,205,240,300)(H2,206,241,301)(H2,207,242,302)(H2,208,243,303)(H2,209,244,304)(H2,210,245,305)(H2,211,222,225)(H2,212,223,226)(H2,213,224,227)(H,262,288,306)(H,263,289,307)(H,264,290,308)(H3,214,246,254,291)(H3,215,247,255,292)(H3,216,248,256,293)(H3,217,249,257,294)(H3,218,250,258,295)(H3,219,251,259,296)(H3,220,252,260,297)(H3,221,253,261,298)

InChIKey

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

Related CIDs

• CID 16204843