N-odn-1

Structural Information

Molecular Formula

C₁₃₄H₁₇₅N₄₃O₉₀P₁₄

SMILES

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

InChI

InChI=1S/C134H175N43O90P14/c1-54-32-170(130(193)159-113(54)179)99-24-65(74(247-99)38-227-268(198,199)200)260-274(211,212)229-40-76-63(22-97(243-76)168-16-10-91(139)151-128(168)191)258-272(207,208)239-49-85-71(30-105(253-85)176-52-145-108-111(176)154-122(142)157-119(108)185)266-280(223,224)236-46-82-68(27-102(250-82)173-35-57(4)116(182)162-133(173)196)263-277(217,218)232-42-78-64(23-98(245-78)169-17-11-92(140)152-129(169)192)259-273(209,210)238-48-84-70(29-104(252-84)175-51-144-107-110(175)153-121(141)156-118(107)184)265-279(221,222)233-43-79-62(21-96(246-79)167-15-9-90(138)150-127(167)190)257-271(205,206)235-45-81-69(28-103(249-81)174-36-58(5)117(183)163-134(174)197)264-278(219,220)240-50-86-72(31-106(254-86)177-53-146-109-112(177)155-123(143)158-120(109)186)267-281(225,226)237-47-83-67(26-101(251-83)172-34-56(3)115(181)161-132(172)195)262-276(215,216)231-41-77-61(20-95(244-77)166-14-8-89(137)149-126(166)189)256-270(203,204)234-44-80-66(25-100(248-80)171-33-55(2)114(180)160-131(171)194)261-275(213,214)230-39-75-60(19-94(242-75)165-13-7-88(136)148-125(165)188)255-269(201,202)228-37-73-59(178)18-93(241-73)164-12-6-87(135)147-124(164)187/h6-17,32-36,51-53,59-86,93-106,178H,18-31,37-50H2,1-5H3,(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(H,225,226)(H2,135,147,187)(H2,136,148,188)(H2,137,149,189)(H2,138,150,190)(H2,139,151,191)(H2,140,152,192)(H,159,179,193)(H,160,180,194)(H,161,181,195)(H,162,182,196)(H,163,183,197)(H2,198,199,200)(H3,141,153,156,184)(H3,142,154,157,185)(H3,143,155,158,186)

InChIKey

OCCDNCSXBJKJFI-UHFFFAOYSA-N

Compound name

[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-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16197472