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

Structural Information

Molecular Formula

C₁₄₄H₁₈₅N₅₄O₇₆P₁₅S₁₅

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)O)N8C=CC(=NC8=O)N)N9C=NC1=C9N=C(NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=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=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C144H185N54O76P15S15/c1-58-31-190(142(212)181-127(58)200)104-23-68(83(253-104)41-238-279(220,294)264-65-20-101(187-13-7-94(148)172-139(187)209)252-82(65)40-237-286(227,301)271-72-27-108(194-53-164-113-119(152)158-50-161-122(113)194)258-88(72)46-243-284(225,299)269-70-25-106(192-33-60(3)129(202)183-144(192)214)255-85(70)43-240-287(228,302)273-74-29-110(197-56-167-116-125(197)176-134(155)179-131(116)204)259-89(74)47-244-277(218,292)261-62-17-98(184-10-4-91(145)169-136(184)206)247-77(62)35-231-275(215,216)290)267-283(224,298)235-38-80-67(22-103(250-80)189-15-9-96(150)174-141(189)211)266-281(222,296)241-44-86-71(26-107(256-86)193-52-163-112-118(151)157-49-160-121(112)193)270-285(226,300)236-39-81-64(19-100(251-81)186-12-6-93(147)171-138(186)208)263-278(219,293)233-37-79-66(21-102(249-79)188-14-8-95(149)173-140(188)210)265-280(221,295)242-45-87-73(28-109(257-87)195-54-165-114-120(153)159-51-162-123(114)195)272-289(230,304)245-48-90-75(30-111(260-90)198-57-168-117-126(198)177-135(156)180-132(117)205)274-288(229,303)239-42-84-69(24-105(254-84)191-32-59(2)128(201)182-143(191)213)268-282(223,297)234-36-78-63(18-99(248-78)185-11-5-92(146)170-137(185)207)262-276(217,291)232-34-76-61(199)16-97(246-76)196-55-166-115-124(196)175-133(154)178-130(115)203/h4-15,31-33,49-57,61-90,97-111,199H,16-30,34-48H2,1-3H3,(H,217,291)(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)(H2,145,169,206)(H2,146,170,207)(H2,147,171,208)(H2,148,172,209)(H2,149,173,210)(H2,150,174,211)(H2,151,157,160)(H2,152,158,161)(H2,153,159,162)(H,181,200,212)(H,182,201,213)(H,183,202,214)(H2,215,216,290)(H3,154,175,178,203)(H3,155,176,179,204)(H3,156,177,180,205)

InChIKey

CMLQWKVHBJXRMZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204547