5'-gtggtgggtgggtgggt-3', phosporothioate backbone

Structural Information

Molecular Formula

C₁₇₀H₂₁₀N₇₀O₉₁P₁₇S₁₆

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(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO[P+](=O)O)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C170H209N70O91P17S16/c1-57-23-224(166(259)219-137(57)242)96-6-62(241)79(299-96)29-283-333(266,349)321-68-12-102(230-46-184-114-126(230)196-155(172)208-143(114)248)305-85(68)34-292-342(275,358)329-76-20-110(238-54-192-122-134(238)204-163(180)216-151(122)256)313-93(76)42-296-344(277,360)326-73-17-107(235-51-189-119-131(235)201-160(177)213-148(119)253)307-87(73)36-289-336(269,352)319-66-9-99(227-26-60(4)140(245)222-169(227)262)303-83(66)32-286-340(273,356)323-70-14-104(232-48-186-116-128(232)198-157(174)210-145(116)250)311-91(70)40-294-347(280,363)331-78-22-112(240-56-194-124-136(240)206-165(182)218-153(124)258)315-95(78)44-298-346(279,362)328-75-19-109(237-53-191-121-133(237)203-162(179)215-150(121)255)309-89(75)38-291-338(271,354)320-67-10-100(228-27-61(5)141(246)223-170(228)263)304-84(67)33-287-341(274,357)324-71-15-105(233-49-187-117-129(233)199-158(175)211-146(117)251)312-92(71)41-295-348(281,364)330-77-21-111(239-55-193-123-135(239)205-164(181)217-152(123)257)314-94(77)43-297-345(278,361)327-74-18-108(236-52-190-120-132(236)202-161(178)214-149(120)254)308-88(74)37-290-337(270,353)318-65-8-98(226-25-59(3)139(244)221-168(226)261)302-82(65)31-285-339(272,355)322-69-13-103(231-47-185-115-127(231)197-156(173)209-144(115)249)310-90(69)39-293-343(276,359)325-72-16-106(234-50-188-118-130(234)200-159(176)212-147(118)252)306-86(72)35-288-335(268,351)317-64-7-97(225-24-58(2)138(243)220-167(225)260)301-81(64)30-284-334(267,350)316-63-11-101(300-80(63)28-282-332(264)265)229-45-183-113-125(229)195-154(171)207-142(113)247/h23-27,45-56,62-112,241H,6-22,28-44H2,1-5H3,(H57-,171,172,173,174,175,176,177,178,179,180,181,182,195,196,197,198,199,200,201,202,203,204,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,242,243,244,245,246,247,248,249,250,251,252,253,254,255,256,257,258,259,260,261,262,263,264,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,349,350,351,352,353,354,355,356,357,358,359,360,361,362,363,364)/p+1

InChIKey

VIBOATTZENDHMQ-UHFFFAOYSA-O

Compound name

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

Related CIDs

• CID 16204540