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

Structural Information

Molecular Formula

C₁₇₆H₂₁₈N₇₉O₈₅P₁₇S₁₇

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(OC1CO)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(=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)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

InChI=1S/C176H218N79O85P17S17/c1-65-28-242(176(271)237-155(65)258)110-15-71(89(311-110)34-294-349(280,366)331-74-18-113(245-54-206-126-139(183)196-49-201-144(126)245)313-91(74)36-295-344(275,361)326-70-14-109(241-9-5-105(180)220-175(241)270)310-88(70)33-293-348(279,365)335-78-22-118(250-59-211-131-149(250)223-166(188)231-158(131)261)321-99(78)44-303-356(287,373)339-81-25-121(253-62-214-134-152(253)226-169(191)234-161(134)264)320-98(81)43-301-352(283,369)334-76-20-115(247-56-208-128-141(185)198-51-203-146(128)247)315-93(76)38-297-351(282,368)333-75-19-114(246-55-207-127-140(184)197-50-202-145(127)246)314-92(75)37-296-350(281,367)332-72-16-111(243-52-204-124-137(181)194-47-199-142(124)243)312-90(72)35-290-342(273,359)324-67-11-116(306-84(67)29-256)248-57-209-129-147(248)221-164(186)229-156(129)259)328-346(277,363)300-42-97-80(24-120(319-97)252-61-213-133-151(252)225-168(190)233-160(133)263)336-353(284,370)298-39-94-73(17-112(316-94)244-53-205-125-138(182)195-48-200-143(125)244)330-347(278,364)292-32-87-68(12-107(309-87)239-7-3-103(178)218-173(239)268)325-343(274,360)291-31-86-69(13-108(308-86)240-8-4-104(179)219-174(240)269)327-345(276,362)299-41-96-79(23-119(318-96)251-60-212-132-150(251)224-167(189)232-159(132)262)337-355(286,372)304-46-101-83(27-123(323-101)255-64-216-136-154(255)228-171(193)236-163(136)266)340-357(288,374)305-45-100-82(26-122(322-100)254-63-215-135-153(254)227-170(192)235-162(135)265)338-354(285,371)302-40-95-77(21-117(317-95)249-58-210-130-148(249)222-165(187)230-157(130)260)329-341(272,358)289-30-85-66(257)10-106(307-85)238-6-2-102(177)217-172(238)267/h2-9,28,47-64,66-101,106-123,256-257H,10-27,29-46H2,1H3,(H,272,358)(H,273,359)(H,274,360)(H,275,361)(H,276,362)(H,277,363)(H,278,364)(H,279,365)(H,280,366)(H,281,367)(H,282,368)(H,283,369)(H,284,370)(H,285,371)(H,286,372)(H,287,373)(H,288,374)(H2,177,217,267)(H2,178,218,268)(H2,179,219,269)(H2,180,220,270)(H2,181,194,199)(H2,182,195,200)(H2,183,196,201)(H2,184,197,202)(H2,185,198,203)(H,237,258,271)(H3,186,221,229,259)(H3,187,222,230,260)(H3,188,223,231,261)(H3,189,224,232,262)(H3,190,225,233,263)(H3,191,226,234,264)(H3,192,227,235,265)(H3,193,228,236,266)

InChIKey

VZCKVRGOUQDEPV-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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]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-(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]-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 16133537