Partially phosphorothioated oligonucleotide 5'-d[tspctgspttcspctgspgspttttcspttgspg]-3'

Structural Information

Molecular Formula

C₁₉₆H₂₅₃N₅₉O₁₂₅P₂₀S₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=O)(O)O)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)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=CC(=NC1=O)N)OP(=O)(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=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(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)S

InChI

InChI=1S/C196H253N59O125P20S7/c1-76-40-240(186(277)225-161(76)257)136-23-90(364-385(297,298)326-56-112-92(25-138(351-112)242-42-78(3)163(259)227-188(242)279)366-389(305,306)331-61-117-101(34-135(344-117)239-19-15-130(200)214-185(239)276)375-396(317,403)338-67-123-97(30-143(355-123)247-47-83(8)168(264)232-193(247)284)371-387(301,302)329-59-115-96(29-142(354-115)246-46-82(7)167(263)231-192(246)283)370-391(309,310)332-62-118-103(36-147(358-118)252-72-207-152-157(252)216-178(202)221-173(152)269)377-394(315,401)335-51-107-87(256)20-131(342-107)251-71-206-151-156(251)215-177(201)220-172(151)268)111(350-136)55-325-384(295,296)365-91-24-137(241-41-77(2)162(258)226-187(241)278)352-113(91)57-327-386(299,300)373-99-32-145(249-49-85(10)170(266)234-195(249)286)357-125(99)69-340-399(320,406)380-106-39-150(255-75-210-155-160(255)219-181(205)224-176(155)272)361-126(106)70-341-400(321,407)379-105-38-149(254-74-209-154-159(254)218-180(204)223-175(154)271)360-120(105)64-334-393(313,314)369-95-28-141(245-45-81(6)166(262)230-191(245)282)348-109(95)53-323-382(291,292)362-88-21-132(236-16-12-127(197)211-182(236)273)345-121(88)65-336-395(316,402)374-100-33-134(238-18-14-129(199)213-184(238)275)343-116(100)60-330-390(307,308)367-93-26-139(243-43-79(4)164(260)228-189(243)280)353-114(93)58-328-388(303,304)372-98-31-144(248-48-84(9)169(265)233-194(248)285)356-124(98)68-339-398(319,405)378-104-37-148(253-73-208-153-158(253)217-179(203)222-174(153)270)359-119(104)63-333-392(311,312)368-94-27-140(244-44-80(5)165(261)229-190(244)281)349-110(94)54-324-383(293,294)363-89-22-133(237-17-13-128(198)212-183(237)274)346-122(89)66-337-397(318,404)376-102-35-146(347-108(102)52-322-381(288,289)290)250-50-86(11)171(267)235-196(250)287/h12-19,40-50,71-75,87-126,131-150,256H,20-39,51-70H2,1-11H3,(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,401)(H,316,402)(H,317,403)(H,318,404)(H,319,405)(H,320,406)(H,321,407)(H2,197,211,273)(H2,198,212,274)(H2,199,213,275)(H2,200,214,276)(H,225,257,277)(H,226,258,278)(H,227,259,279)(H,228,260,280)(H,229,261,281)(H,230,262,282)(H,231,263,283)(H,232,264,284)(H,233,265,285)(H,234,266,286)(H,235,267,287)(H2,288,289,290)(H3,201,215,220,268)(H3,202,216,221,269)(H3,203,217,222,270)(H3,204,218,223,271)(H3,205,219,224,272)

InChIKey

SXFDHEUKNPYPFE-UHFFFAOYSA-N

Compound name

[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[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-[[3-[[3-[[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-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]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-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]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-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 51035274