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

Structural Information

Molecular Formula

C₂₀₈H₂₅₆N₉₂O₁₀₃P₂₀S₂₀

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(=O)(OC9CC(OC9COP(=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(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=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)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=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)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=C1N=C(NC2=O)N)O

InChI

InChI=1S/C208H256N92O103P20S20/c1-73-29-282(206(320)277-177(73)303)123-12-80(102(368-123)37-348-412(331,432)395-88-20-132(292-64-242-148-168(292)256-195(218)268-183(148)309)378-112(88)47-357-418(337,438)398-90-22-134(294-66-244-150-170(294)258-197(220)270-185(150)311)375-109(90)44-353-407(326,427)386-79-11-122(281-7-5-119(210)252-205(281)319)366-100(79)35-346-411(330,431)391-83-15-126(285-57-235-141-157(211)227-53-231-161(141)285)370-104(83)39-344-405(324,425)384-77-9-130(363-97(77)32-301)290-62-240-146-166(290)254-193(216)266-181(146)307)387-408(327,428)345-34-99-78(10-121(365-99)280-6-4-118(209)251-204(280)318)385-406(325,426)350-40-105-84(16-127(371-105)286-58-236-142-158(212)228-54-232-162(142)286)392-414(333,434)351-41-106-85(17-128(372-106)287-59-237-143-159(213)229-55-233-163(143)287)393-415(334,435)355-45-110-92(24-136(376-110)296-68-246-152-172(296)260-199(222)272-187(152)313)399-421(340,441)361-51-116-96(28-140(382-116)300-72-250-156-176(300)264-203(226)276-191(156)317)403-423(342,443)362-52-117-95(27-139(383-117)299-71-249-155-175(299)263-202(225)275-190(155)316)402-422(341,442)359-49-114-91(23-135(380-114)295-67-245-151-171(295)259-198(221)271-186(151)312)397-417(336,437)352-42-107-86(18-129(373-107)288-60-238-144-160(214)230-56-234-164(144)288)394-416(335,436)356-46-111-93(25-137(377-111)297-69-247-153-173(297)261-200(223)273-188(153)314)400-420(339,440)360-50-115-94(26-138(381-115)298-70-248-154-174(298)262-201(224)274-189(154)315)401-419(338,439)358-48-113-89(21-133(379-113)293-65-243-149-169(293)257-196(219)269-184(149)310)396-413(332,433)349-38-103-81(13-124(369-103)283-30-74(2)178(304)278-207(283)321)388-409(328,429)347-36-101-82(14-125(367-101)284-31-75(3)179(305)279-208(284)322)389-410(329,430)354-43-108-87(19-131(374-108)291-63-241-147-167(291)255-194(217)267-182(147)308)390-404(323,424)343-33-98-76(302)8-120(364-98)289-61-239-145-165(289)253-192(215)265-180(145)306/h4-7,29-31,53-72,76-117,120-140,301-302H,8-28,32-52H2,1-3H3,(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)(H,334,435)(H,335,436)(H,336,437)(H,337,438)(H,338,439)(H,339,440)(H,340,441)(H,341,442)(H,342,443)(H2,209,251,318)(H2,210,252,319)(H2,211,227,231)(H2,212,228,232)(H2,213,229,233)(H2,214,230,234)(H,277,303,320)(H,278,304,321)(H,279,305,322)(H3,215,253,265,306)(H3,216,254,266,307)(H3,217,255,267,308)(H3,218,256,268,309)(H3,219,257,269,310)(H3,220,258,270,311)(H3,221,259,271,312)(H3,222,260,272,313)(H3,223,261,273,314)(H3,224,262,274,315)(H3,225,263,275,316)(H3,226,264,276,317)

InChIKey

UMMUZIJQVRPNAF-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133532