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

Structural Information

Molecular Formula

C₂₀₄H₂₅₃N₈₉O₉₉P₂₀S₂₀

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=CNC2=O)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/C204H253N89O99P20S20/c1-78-35-279(204(311)272-182(78)296)133-20-85(378-399(318,419)347-53-117-97(32-145(369-117)291-75-249-159-179(291)262-195(221)269-188(159)302)389-409(328,429)342-47-111-87(22-135(363-111)281-65-239-149-163(212)225-58-231-169(149)281)381-401(320,421)336-39-103-81(16-129(355-103)275-10-4-123(207)254-200(275)307)374-395(314,415)334-38-102-82(17-130(354-102)276-11-5-124(208)255-201(276)308)376-397(316,417)345-52-116-96(31-144(368-116)290-74-248-158-178(290)261-194(220)268-187(158)301)390-410(329,430)344-49-113-92(27-140(365-113)286-70-244-154-174(286)236-63-237-183(154)297)386-407(326,427)349-55-119-99(34-147(371-119)293-77-251-161-181(293)264-197(223)271-190(161)304)391-411(330,431)350-50-114-93(28-141(366-114)287-71-245-155-175(287)258-191(217)265-184(155)298)379-393(312,413)332-37-101-79(295)14-127(353-101)273-8-2-121(205)252-198(273)305)106(358-133)42-338-403(322,423)382-88-23-136(282-66-240-150-164(213)226-59-232-170(150)282)360-108(88)44-339-396(315,416)375-83-18-131(277-12-6-125(209)256-202(277)309)357-105(83)41-337-402(321,422)387-94-29-142(288-72-246-156-176(288)259-192(218)266-185(156)299)372-120(94)56-351-412(331,432)392-98-33-146(292-76-250-160-180(292)263-196(222)270-189(160)303)370-118(98)54-348-406(325,426)385-91-26-139(285-69-243-153-167(216)229-62-235-173(153)285)362-110(91)46-341-404(323,424)383-89-24-137(283-67-241-151-165(214)227-60-233-171(151)283)361-109(89)45-340-405(324,425)384-90-25-138(284-68-242-152-166(215)228-61-234-172(152)284)364-112(90)48-343-408(327,428)388-95-30-143(289-73-247-157-177(289)260-193(219)267-186(157)300)367-115(95)51-346-398(317,418)377-84-19-132(278-13-7-126(210)257-203(278)310)356-104(84)40-335-400(319,420)380-86-21-134(280-64-238-148-162(211)224-57-230-168(148)280)359-107(86)43-333-394(313,414)373-80-15-128(352-100(80)36-294)274-9-3-122(206)253-199(274)306/h2-13,35,57-77,79-120,127-147,294-295H,14-34,36-56H2,1H3,(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)(H,329,430)(H,330,431)(H,331,432)(H2,205,252,305)(H2,206,253,306)(H2,207,254,307)(H2,208,255,308)(H2,209,256,309)(H2,210,257,310)(H2,211,224,230)(H2,212,225,231)(H2,213,226,232)(H2,214,227,233)(H2,215,228,234)(H2,216,229,235)(H,236,237,297)(H,272,296,311)(H3,217,258,265,298)(H3,218,259,266,299)(H3,219,260,267,300)(H3,220,261,268,301)(H3,221,262,269,302)(H3,222,263,270,303)(H3,223,264,271,304)

InChIKey

LBZMFIKNNWGIII-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-[[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]oxy-5-(6-oxo-1H-purin-9-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-(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 16133562