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

Structural Information

Molecular Formula

C₁₉₆H₂₅₂N₅₉O₁₂₂P₁₉S₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=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=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C196H252N59O122P19S7/c1-76-40-240(186(278)225-161(76)258)131-20-87(257)108(340-131)52-332-390(313,397)372-101-34-133(237-17-13-128(198)212-183(237)275)342-116(101)60-329-389(311,312)369-99-32-145(250-50-86(11)171(268)235-196(250)288)353-123(99)67-336-394(317,401)375-104-37-148(253-73-208-153-158(253)217-179(203)222-174(153)271)355-119(104)63-330-387(307,308)365-95-28-141(246-46-82(7)167(264)231-192(246)284)349-114(95)58-325-383(299,300)368-98-31-144(249-49-85(10)170(267)234-195(249)287)351-121(98)65-334-392(315,399)373-102-35-134(238-18-14-129(199)213-184(238)276)343-117(102)61-327-385(303,304)359-89-22-132(236-16-12-127(197)211-182(236)274)341-109(89)53-320-381(295,296)366-96-29-142(247-47-83(8)168(265)232-193(247)285)354-124(96)68-337-395(318,402)377-106-39-150(255-75-210-155-160(255)219-181(205)224-176(155)273)358-126(106)70-338-396(319,403)376-105-38-149(254-74-209-154-159(254)218-180(204)223-175(154)272)356-120(105)64-331-388(309,310)364-94-27-140(245-45-81(6)166(263)230-191(245)283)347-112(94)56-323-379(291,292)360-90-23-136(241-41-77(2)162(259)226-187(241)279)345-110(90)54-321-378(289,290)361-91-24-137(242-42-78(3)163(260)227-188(242)280)348-113(91)57-324-382(297,298)367-97-30-143(248-48-84(9)169(266)233-194(248)286)352-122(97)66-335-393(316,400)374-103-36-135(239-19-15-130(200)214-185(239)277)344-118(103)62-328-386(305,306)363-93-26-139(244-44-80(5)165(262)229-190(244)282)346-111(93)55-322-380(293,294)362-92-25-138(243-43-79(4)164(261)228-189(243)281)350-115(92)59-326-384(301,302)370-100-33-147(252-72-207-152-157(252)216-178(202)221-173(152)270)357-125(100)69-333-391(314,398)371-88-21-146(339-107(88)51-256)251-71-206-151-156(251)215-177(201)220-172(151)269/h12-19,40-50,71-75,87-126,131-150,256-257H,20-39,51-70H2,1-11H3,(H,289,290)(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,313,397)(H,314,398)(H,315,399)(H,316,400)(H,317,401)(H,318,402)(H,319,403)(H2,197,211,274)(H2,198,212,275)(H2,199,213,276)(H2,200,214,277)(H,225,258,278)(H,226,259,279)(H,227,260,280)(H,228,261,281)(H,229,262,282)(H,230,263,283)(H,231,264,284)(H,232,265,285)(H,233,266,286)(H,234,267,287)(H,235,268,288)(H3,201,215,220,269)(H3,202,216,221,270)(H3,203,217,222,271)(H3,204,218,223,272)(H3,205,219,224,273)

InChIKey

JCHZELHVDLAOFH-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 51035272