1-[5-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(dihydroxyphosphinothioyloxymethyl)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-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-sulfanylphosphoryl]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]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Structural Information

Molecular Formula

C₁₄₆H₁₈₆N₅₅O₇₄P₁₅S₁₅

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=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(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)O)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C146H186N55O74P15S15/c1-60-28-191(143(212)183-133(60)203)98-13-64(202)79(247-98)32-233-277(218,292)269-72-21-106(195-53-170-113-120(151)158-47-164-126(113)195)255-87(72)40-241-286(227,301)272-75-24-109(198-56-173-116-123(154)161-50-167-129(116)198)258-90(75)43-243-288(229,303)273-76-25-110(199-57-174-117-124(155)162-51-168-130(117)199)259-91(76)44-244-289(230,304)274-77-26-111(200-58-175-118-125(156)163-52-169-131(118)200)260-92(77)45-245-290(231,305)275-78-27-112(201-59-176-119-132(201)181-138(157)182-137(119)207)261-93(78)46-246-284(225,299)268-71-20-105(194-31-63(4)136(206)186-146(194)215)252-84(71)37-237-280(221,295)264-67-16-101(189-11-7-96(149)179-141(189)210)251-83(67)36-236-282(223,297)266-69-18-103(192-29-61(2)134(204)184-144(192)213)253-85(69)38-238-283(224,298)267-70-19-104(193-30-62(3)135(205)185-145(193)214)254-86(70)39-239-285(226,300)270-73-22-107(196-54-171-114-121(152)159-48-165-127(114)196)257-89(73)42-242-287(228,302)271-74-23-108(197-55-172-115-122(153)160-49-166-128(115)197)256-88(74)41-240-281(222,296)265-68-17-102(190-12-8-97(150)180-142(190)211)250-82(68)35-235-279(220,294)263-66-15-100(188-10-6-95(148)178-140(188)209)249-81(66)34-234-278(219,293)262-65-14-99(187-9-5-94(147)177-139(187)208)248-80(65)33-232-276(216,217)291/h5-12,28-31,47-59,64-93,98-112,202H,13-27,32-46H2,1-4H3,(H,218,292)(H,219,293)(H,220,294)(H,221,295)(H,222,296)(H,223,297)(H,224,298)(H,225,299)(H,226,300)(H,227,301)(H,228,302)(H,229,303)(H,230,304)(H,231,305)(H2,147,177,208)(H2,148,178,209)(H2,149,179,210)(H2,150,180,211)(H2,151,158,164)(H2,152,159,165)(H2,153,160,166)(H2,154,161,167)(H2,155,162,168)(H2,156,163,169)(H,183,203,212)(H,184,204,213)(H,185,205,214)(H,186,206,215)(H2,216,217,291)(H3,157,181,182,207)

InChIKey

ZMDPDIGNOHGRNA-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204545