T30695

Structural Information

Molecular Formula

C₁₆₀H₁₉₇N₆₈O₉₆P₁₅S₂

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(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(=S)(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=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)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/C160H197N68O96P15S2/c1-53-21-213(157(247)209-129(53)231)89-5-57(230)74(295-89)26-292-338(277,340)324-72-20-104(228-52-184-116-128(228)196-156(172)208-144(116)246)308-87(72)39-291-337(275,276)321-70-18-102(226-50-182-114-126(226)194-154(170)206-142(114)244)306-85(70)37-289-335(271,272)318-67-15-99(223-47-179-111-123(223)191-151(167)203-139(111)241)301-80(67)32-284-327(255,256)311-60-8-91(215-23-55(3)131(233)211-159(215)249)297-76(60)28-280-329(259,260)314-63-11-95(219-43-175-107-119(219)187-147(163)199-135(107)237)303-82(63)34-286-334(269,270)319-68-16-100(224-48-180-112-124(224)192-152(168)204-140(112)242)304-83(68)35-287-331(263,264)316-65-13-97(221-45-177-109-121(221)189-149(165)201-137(109)239)299-78(65)30-282-325(251,252)310-59-7-90(214-22-54(2)130(232)210-158(214)248)296-75(59)27-279-328(257,258)313-62-10-94(218-42-174-106-118(218)186-146(162)198-134(106)236)302-81(62)33-285-333(267,268)320-69-17-101(225-49-181-113-125(225)193-153(169)205-141(113)243)305-84(69)36-288-332(265,266)317-66-14-98(222-46-178-110-122(222)190-150(166)202-138(110)240)300-79(66)31-283-326(253,254)312-61-9-92(216-24-56(4)132(234)212-160(216)250)298-77(61)29-281-330(261,262)315-64-12-96(220-44-176-108-120(220)188-148(164)200-136(108)238)307-86(64)38-290-336(273,274)322-71-19-103(227-51-183-115-127(227)195-155(171)207-143(115)245)309-88(71)40-293-339(278,341)323-58-6-93(294-73(58)25-229)217-41-173-105-117(217)185-145(161)197-133(105)235/h21-24,41-52,57-104,229-230H,5-20,25-40H2,1-4H3,(H,251,252)(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,277,340)(H,278,341)(H,209,231,247)(H,210,232,248)(H,211,233,249)(H,212,234,250)(H3,161,185,197,235)(H3,162,186,198,236)(H3,163,187,199,237)(H3,164,188,200,238)(H3,165,189,201,239)(H3,166,190,202,240)(H3,167,191,203,241)(H3,168,192,204,242)(H3,169,193,205,243)(H3,170,194,206,244)(H3,171,195,207,245)(H3,172,196,208,246)

InChIKey

UYTWZTYDXVCBSO-UHFFFAOYSA-N

Compound name

[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-[[[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-hydroxyphosphinothioyl]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-(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-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [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]methyl hydrogen phosphate

Related CIDs

• CID 16130333