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

Structural Information

Molecular Formula

C₁₈₅H₂₃₀N₈₂O₈₉P₁₈S₁₈

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

InChI

InChI=1S/C185H230N82O89P18S18/c1-70-31-254(185(283)248-165(70)270)120-18-77(344-363(290,381)316-48-106-88(29-131(336-106)266-68-227-144-163(266)239-178(202)246-171(144)276)354-372(299,390)312-43-101-79(20-122(331-101)256-58-217-134-147(192)205-52-211-153(134)256)347-365(292,383)306-35-93-73(14-116(323-93)250-8-3-110(187)230-181(250)279)340-359(286,377)304-34-92-74(15-117(322-92)251-9-4-111(188)231-182(251)280)342-361(288,379)315-47-105-87(28-130(335-105)265-67-226-143-162(265)238-177(201)245-170(143)275)355-373(300,391)318-45-103-84(25-127(333-103)262-64-223-140-159(262)235-174(198)242-167(140)272)345-357(284,375)302-33-91-71(269)12-114(321-91)261-63-222-139-158(261)234-173(197)241-166(139)271)96(326-120)38-308-367(294,385)348-80-21-123(257-59-218-135-148(193)206-53-212-154(135)257)328-98(80)40-309-360(287,378)341-75-16-118(252-10-5-112(189)232-183(252)281)325-95(75)37-307-366(293,384)352-85-26-128(263-65-224-141-160(263)236-175(199)243-168(141)273)338-108(85)50-319-374(301,392)356-89-30-132(267-69-228-145-164(267)240-179(203)247-172(145)277)337-107(89)49-317-370(297,388)351-83-24-126(260-62-221-138-151(196)209-56-215-157(138)260)330-100(83)42-311-368(295,386)349-81-22-124(258-60-219-136-149(194)207-54-213-155(136)258)329-99(81)41-310-369(296,387)350-82-23-125(259-61-220-137-150(195)208-55-214-156(137)259)332-102(82)44-313-371(298,389)353-86-27-129(264-66-225-142-161(264)237-176(200)244-169(142)274)334-104(86)46-314-362(289,380)343-76-17-119(253-11-6-113(190)233-184(253)282)324-94(76)36-305-364(291,382)346-78-19-121(255-57-216-133-146(191)204-51-210-152(133)255)327-97(78)39-303-358(285,376)339-72-13-115(320-90(72)32-268)249-7-2-109(186)229-180(249)278/h2-11,31,51-69,71-108,114-132,268-269H,12-30,32-50H2,1H3,(H,284,375)(H,285,376)(H,286,377)(H,287,378)(H,288,379)(H,289,380)(H,290,381)(H,291,382)(H,292,383)(H,293,384)(H,294,385)(H,295,386)(H,296,387)(H,297,388)(H,298,389)(H,299,390)(H,300,391)(H,301,392)(H2,186,229,278)(H2,187,230,279)(H2,188,231,280)(H2,189,232,281)(H2,190,233,282)(H2,191,204,210)(H2,192,205,211)(H2,193,206,212)(H2,194,207,213)(H2,195,208,214)(H2,196,209,215)(H,248,270,283)(H3,197,234,241,271)(H3,198,235,242,272)(H3,199,236,243,273)(H3,200,237,244,274)(H3,201,238,245,275)(H3,202,239,246,276)(H3,203,240,247,277)

InChIKey

WZUIOAUKCRPDKP-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133540