S-odn-1

Structural Information

Molecular Formula

C₁₃₄H₁₇₄N₄₃O₇₄P₁₃S₁₃

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=S)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(OCC8C(CC(O8)N9C=C(C(=O)NC9=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)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(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=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

InChI=1S/C134H174N43O74P13S13/c1-54-32-170(130(194)159-113(54)180)99-19-60(73(37-178)225-99)239-253(200,266)213-39-75-62(21-95(227-75)166-14-8-89(137)149-126(166)190)243-256(203,269)222-49-85-71(30-105(237-85)176-52-145-108-111(176)154-122(142)157-119(108)186)250-263(210,276)220-46-82-68(27-102(234-82)173-35-57(4)116(183)162-133(173)197)247-260(207,273)216-42-78-65(24-98(230-78)169-17-11-92(140)152-129(169)193)244-257(204,270)223-48-84-70(29-104(236-84)175-51-144-107-110(175)153-121(141)156-118(107)185)249-262(209,275)217-43-79-64(23-97(231-79)168-16-10-91(139)151-128(168)192)242-255(202,268)219-45-81-69(28-103(233-81)174-36-58(5)117(184)163-134(174)198)248-261(208,274)224-50-86-72(31-106(238-86)177-53-146-109-112(177)155-123(143)158-120(109)187)251-264(211,277)221-47-83-67(26-101(235-83)172-34-56(3)115(182)161-132(172)196)246-259(206,272)215-41-77-63(22-96(229-77)167-15-9-90(138)150-127(167)191)241-254(201,267)218-44-80-66(25-100(232-80)171-33-55(2)114(181)160-131(171)195)245-258(205,271)214-40-76-61(20-94(228-76)165-13-7-88(136)148-125(165)189)240-252(199,265)212-38-74-59(179)18-93(226-74)164-12-6-87(135)147-124(164)188/h6-17,32-36,51-53,59-86,93-106,178-179H,18-31,37-50H2,1-5H3,(H,199,265)(H,200,266)(H,201,267)(H,202,268)(H,203,269)(H,204,270)(H,205,271)(H,206,272)(H,207,273)(H,208,274)(H,209,275)(H,210,276)(H,211,277)(H2,135,147,188)(H2,136,148,189)(H2,137,149,190)(H2,138,150,191)(H2,139,151,192)(H2,140,152,193)(H,159,180,194)(H,160,181,195)(H,161,182,196)(H,162,183,197)(H,163,184,198)(H3,141,153,156,185)(H3,142,154,157,186)(H3,143,155,158,187)

InChIKey

KQGZBQKDMDAPCB-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131471