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

Structural Information

Molecular Formula

C₂₀₄H₂₅₅N₈₇O₁₀₃P₂₀S₂₀

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=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)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(=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(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

InChI=1S/C204H255N87O103P20S20/c1-75-36-277(203(312)269-175(75)294)131-21-83(380-400(319,420)342-47-107-86(24-134(363-107)280-63-231-147-160(212)225-60-228-163(147)280)382-402(321,422)337-42-102-81(19-129(358-102)275-13-7-123(209)247-201(275)310)378-398(317,418)344-49-109-90(28-138(365-109)284-67-235-151-167(284)251-189(216)261-179(151)298)388-408(327,428)351-56-116-96(34-144(372-116)290-73-241-157-173(290)257-195(222)267-185(157)304)393-413(332,433)353-58-118-97(35-145(374-118)291-74-242-158-174(291)258-196(223)268-186(158)305)394-414(333,434)352-57-117-94(32-142(373-117)288-71-239-155-171(288)255-193(220)265-183(155)302)391-411(330,431)348-52-112-88(26-136(368-112)282-65-233-149-165(282)249-187(214)259-177(149)296)385-404(323,424)338-40-100-79(17-127(356-100)273-11-5-121(207)245-199(273)308)376-395(314,415)334-39-99-77(293)15-125(355-99)271-9-3-119(205)243-197(271)306)104(360-131)44-340-397(316,417)377-80-18-128(274-12-6-122(208)246-200(274)309)357-101(80)41-336-403(322,423)383-87-25-135(281-64-232-148-161(213)226-61-229-164(148)281)364-108(87)48-343-407(326,427)387-93-31-141(287-70-238-154-170(287)254-192(219)264-182(154)301)370-114(93)54-349-412(331,432)392-95-33-143(289-72-240-156-172(289)256-194(221)266-184(156)303)371-115(95)55-350-409(328,429)389-91-29-139(285-68-236-152-168(285)252-190(217)262-180(152)299)366-110(91)50-345-399(318,419)379-82-20-130(276-14-8-124(210)248-202(276)311)359-103(82)43-339-405(324,425)386-89-27-137(283-66-234-150-166(283)250-188(215)260-178(150)297)369-113(89)53-347-410(329,430)390-92-30-140(286-69-237-153-169(286)253-191(218)263-181(153)300)367-111(92)51-346-401(320,421)381-84-22-132(278-37-76(2)176(295)270-204(278)313)361-105(84)45-341-406(325,426)384-85-23-133(279-62-230-146-159(211)224-59-227-162(146)279)362-106(85)46-335-396(315,416)375-78-16-126(354-98(78)38-292)272-10-4-120(206)244-198(272)307/h3-14,36-37,59-74,77-118,125-145,292-293H,15-35,38-58H2,1-2H3,(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)(H,333,434)(H2,205,243,306)(H2,206,244,307)(H2,207,245,308)(H2,208,246,309)(H2,209,247,310)(H2,210,248,311)(H2,211,224,227)(H2,212,225,228)(H2,213,226,229)(H,269,294,312)(H,270,295,313)(H3,214,249,259,296)(H3,215,250,260,297)(H3,216,251,261,298)(H3,217,252,262,299)(H3,218,253,263,300)(H3,219,254,264,301)(H3,220,255,265,302)(H3,221,256,266,303)(H3,222,257,267,304)(H3,223,258,268,305)

InChIKey

VMVJJSDANCFFDG-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133522