5'-d[gaagcgttcgcacttcgtccca]-3', phosphorothioate oligodeoxynucleotide

Structural Information

Molecular Formula

C₂₁₂H₂₇₀N₇₉O₁₁₀P₂₁S₂₁

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

InChI

InChI=1S/C212H270N79O110P21S21/c1-84-44-278(208(312)265-185(84)294)150-32-99(390-411(326,432)344-55-117-96(29-147(365-117)275-19-11-138(218)252-205(275)309)388-409(324,430)356-68-130-109(42-161(378-130)290-82-245-170-183(290)258-198(228)263-193(170)302)400-419(334,440)351-62-124-101(34-152(372-124)280-46-86(3)187(296)267-210(280)314)392-413(328,434)342-53-115-93(26-144(363-115)272-16-8-135(215)249-202(272)306)384-405(320,426)341-52-114-92(25-143(362-114)271-15-7-134(214)248-201(271)305)383-404(319,425)340-51-113-91(24-142(361-113)270-14-6-133(213)247-200(270)304)382-402(317,423)338-50-112-89(293)22-141(360-112)283-75-238-163-172(221)230-71-234-176(163)283)122(370-150)60-349-414(329,435)393-102-35-153(281-47-87(4)188(297)268-211(281)315)369-121(102)59-348-406(321,427)385-94-27-145(273-17-9-136(216)250-203(273)307)366-118(94)56-345-416(331,437)395-105-38-156(285-77-240-165-174(223)232-73-236-178(165)285)375-127(105)65-353-407(322,428)386-97-30-148(276-20-12-139(219)253-206(276)310)367-119(97)57-346-417(332,438)398-107-40-159(288-80-243-168-181(288)256-196(226)261-191(168)300)377-129(107)67-355-408(323,429)387-95-28-146(274-18-10-137(217)251-204(274)308)364-116(95)54-343-412(327,433)391-100-33-151(279-45-85(2)186(295)266-209(279)313)371-123(100)61-350-415(330,436)394-103-36-154(282-48-88(5)189(298)269-212(282)316)373-125(103)63-352-420(335,441)401-110-43-162(291-83-246-171-184(291)259-199(229)264-194(171)303)379-131(110)69-357-410(325,431)389-98-31-149(277-21-13-140(220)254-207(277)311)368-120(98)58-347-418(333,439)399-108-41-160(289-81-244-169-182(289)257-197(227)262-192(169)301)380-132(108)70-358-422(337,443)397-106-39-157(286-78-241-166-175(224)233-74-237-179(166)286)376-128(106)66-354-421(336,442)396-104-37-155(284-76-239-164-173(222)231-72-235-177(164)284)374-126(104)64-339-403(318,424)381-90-23-158(359-111(90)49-292)287-79-242-167-180(287)255-195(225)260-190(167)299/h6-21,44-48,71-83,89-132,141-162,292-293H,22-43,49-70H2,1-5H3,(H,317,423)(H,318,424)(H,319,425)(H,320,426)(H,321,427)(H,322,428)(H,323,429)(H,324,430)(H,325,431)(H,326,432)(H,327,433)(H,328,434)(H,329,435)(H,330,436)(H,331,437)(H,332,438)(H,333,439)(H,334,440)(H,335,441)(H,336,442)(H,337,443)(H2,213,247,304)(H2,214,248,305)(H2,215,249,306)(H2,216,250,307)(H2,217,251,308)(H2,218,252,309)(H2,219,253,310)(H2,220,254,311)(H2,221,230,234)(H2,222,231,235)(H2,223,232,236)(H2,224,233,237)(H,265,294,312)(H,266,295,313)(H,267,296,314)(H,268,297,315)(H,269,298,316)(H3,225,255,260,299)(H3,226,256,261,300)(H3,227,257,262,301)(H3,228,258,263,302)(H3,229,259,264,303)

InChIKey

UQWSPWPFOCFGNZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133601