93del dimeric quadruplex

Structural Information

Molecular Formula

C₁₆₀H₁₉₅N₇₄O₉₄P₁₅

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)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)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)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/C160H195N74O94P15/c1-53-19-219(159(251)217-133(53)237)87-3-55(236)72(299-87)22-283-329(253,254)316-60-8-92(224-42-182-106-122(224)194-148(164)206-136(106)240)304-77(60)27-291-337(269,270)324-68-16-100(232-50-190-114-130(232)202-156(172)214-144(114)248)312-85(68)35-297-342(279,280)326-67-15-99(231-49-189-113-129(231)201-155(171)213-143(113)247)307-80(67)30-290-334(263,264)318-59-7-90(222-40-180-104-118(162)176-38-178-120(104)222)301-74(59)24-286-335(265,266)321-64-12-96(228-46-186-110-126(228)198-152(168)210-140(110)244)309-82(64)32-294-341(277,278)325-66-14-98(230-48-188-112-128(230)200-154(170)212-142(112)246)306-79(66)29-289-333(261,262)317-58-6-89(221-39-179-103-117(161)175-37-177-119(103)221)302-75(58)25-287-336(267,268)322-65-13-97(229-47-187-111-127(229)199-153(169)211-141(111)245)310-83(65)33-295-343(281,282)328-70-18-102(234-52-192-116-132(234)204-158(174)216-146(116)250)313-86(70)36-296-339(273,274)323-63-11-95(227-45-185-109-125(227)197-151(167)209-139(109)243)305-78(63)28-288-331(257,258)315-57-5-88(220-20-54(2)134(238)218-160(220)252)300-73(57)23-285-332(259,260)319-62-10-94(226-44-184-108-124(226)196-150(166)208-138(108)242)308-81(62)31-293-340(275,276)327-69-17-101(233-51-191-115-131(233)203-157(173)215-145(115)249)311-84(69)34-292-338(271,272)320-61-9-93(225-43-183-107-123(225)195-149(165)207-137(107)241)303-76(61)26-284-330(255,256)314-56-4-91(298-71(56)21-235)223-41-181-105-121(223)193-147(163)205-135(105)239/h19-20,37-52,55-102,235-236H,3-18,21-36H2,1-2H3,(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H2,161,175,177)(H2,162,176,178)(H,217,237,251)(H,218,238,252)(H3,163,193,205,239)(H3,164,194,206,240)(H3,165,195,207,241)(H3,166,196,208,242)(H3,167,197,209,243)(H3,168,198,210,244)(H3,169,199,211,245)(H3,170,200,212,246)(H3,171,201,213,247)(H3,172,202,214,248)(H3,173,203,215,249)(H3,174,204,216,250)

InChIKey

FYBCTODJWAYWKP-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 16133696