Cf-1081

Structural Information

Molecular Formula

C₁₉₄H₂₄₈N₇₀O₁₂₀P₂₀

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=C(C(=O)NC6=O)C)OP(=O)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=O)(O)OCC9C(CC(O9)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=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=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)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=CC(=NC1=O)N)O

InChI

InChI=1S/C194H248N70O120P20/c1-80-39-251(189(279)239-175(80)266)138-25-92(107(352-138)46-326-385(285,286)287)371-391(298,299)330-50-111-91(24-137(350-111)250-18-12-131(200)236-188(250)278)370-390(296,297)333-52-113-94(27-140(353-113)253-41-82(3)177(268)241-191(253)281)373-393(302,303)335-54-115-93(26-139(355-115)252-40-81(2)176(267)240-190(252)280)372-392(300,301)331-51-112-89(22-135(351-112)248-16-10-129(198)234-186(248)276)368-388(292,293)328-48-109-88(21-134(348-109)247-15-9-128(197)233-185(247)275)367-387(290,291)329-49-110-90(23-136(349-110)249-17-11-130(199)235-187(249)277)369-389(294,295)334-53-114-96(29-142(354-114)255-43-84(5)179(270)243-193(255)283)375-395(306,307)338-57-118-99(32-145(358-118)258-73-224-153-161(202)210-66-217-168(153)258)378-399(314,315)341-60-121-102(35-148(361-121)261-76-227-156-164(205)213-69-220-171(156)261)380-401(318,319)343-62-123-104(37-150(363-123)263-78-229-158-166(207)215-71-222-173(158)263)382-403(322,323)344-63-124-103(36-149(364-124)262-77-228-157-165(206)214-70-221-172(157)262)381-402(320,321)342-61-122-101(34-147(362-122)260-75-226-155-163(204)212-68-219-170(155)260)379-400(316,317)340-59-120-98(31-144(360-120)257-72-223-152-160(201)209-65-216-167(152)257)377-398(312,313)337-56-117-95(28-141(357-117)254-42-83(4)178(269)242-192(254)282)374-394(304,305)336-55-116-97(30-143(356-116)256-44-85(6)180(271)244-194(256)284)376-396(308,309)339-58-119-100(33-146(359-119)259-74-225-154-162(203)211-67-218-169(154)259)383-404(324,325)345-64-125-105(38-151(365-125)264-79-230-159-174(264)237-182(208)238-181(159)272)384-397(310,311)332-47-108-87(20-133(347-108)246-14-8-127(196)232-184(246)274)366-386(288,289)327-45-106-86(265)19-132(346-106)245-13-7-126(195)231-183(245)273/h7-18,39-44,65-79,86-125,132-151,265H,19-38,45-64H2,1-6H3,(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H2,195,231,273)(H2,196,232,274)(H2,197,233,275)(H2,198,234,276)(H2,199,235,277)(H2,200,236,278)(H2,201,209,216)(H2,202,210,217)(H2,203,211,218)(H2,204,212,219)(H2,205,213,220)(H2,206,214,221)(H2,207,215,222)(H,239,266,279)(H,240,267,280)(H,241,268,281)(H,242,269,282)(H,243,270,283)(H,244,271,284)(H2,285,286,287)(H3,208,237,238,272)

InChIKey

UWJIDLPTDYRTLP-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[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-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)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]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 16197344