Cf-1078

Structural Information

Molecular Formula

C₁₈₉H₂₄₈N₆₀O₁₂₅P₂₀

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)O)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C189H248N60O125P20/c1-80-49-241(184(269)224-165(80)251)137-29-86(250)106(336-137)55-317-376(278,279)357-88-31-139(231-19-8-127(191)212-174(231)259)338-108(88)57-318-378(282,283)359-90-33-141(233-21-10-129(193)214-176(233)261)341-111(90)60-321-388(302,303)368-99-42-150(243-51-82(3)167(253)226-186(243)271)349-119(99)68-329-381(288,289)361-92-35-143(235-23-12-131(195)216-178(235)263)342-112(92)61-322-389(304,305)369-100-43-151(244-52-83(4)168(254)227-187(244)272)350-120(100)69-330-382(290,291)362-93-36-144(236-24-13-132(196)217-179(236)264)343-113(93)62-323-390(306,307)370-101-44-152(245-53-84(5)169(255)228-188(245)273)351-121(101)70-331-383(292,293)363-94-37-145(237-25-14-133(197)218-180(237)265)344-114(94)63-324-391(308,309)371-102-45-153(246-54-85(6)170(256)229-189(246)274)352-122(102)71-332-394(314,315)373-104-47-155(248-78-209-158-161(202)205-76-207-163(158)248)354-124(104)73-334-384(294,295)364-95-38-146(238-26-15-134(198)219-181(238)266)340-110(95)59-320-379(284,285)358-89-32-140(232-20-9-128(192)213-175(232)260)339-109(89)58-319-380(286,287)360-91-34-142(234-22-11-130(194)215-177(234)262)346-116(91)65-326-392(310,311)372-103-46-154(247-77-208-157-160(201)204-75-206-162(157)247)353-123(103)72-333-385(296,297)365-97-40-148(240-28-17-136(200)221-183(240)268)347-117(97)66-327-393(312,313)374-105-48-156(249-79-210-159-164(249)222-172(203)223-171(159)257)355-125(105)74-335-386(298,299)366-96-39-147(239-27-16-135(199)220-182(239)267)345-115(96)64-325-387(300,301)367-98-41-149(242-50-81(2)166(252)225-185(242)270)348-118(98)67-328-377(280,281)356-87-30-138(230-18-7-126(190)211-173(230)258)337-107(87)56-316-375(275,276)277/h7-28,49-54,75-79,86-125,137-156,250H,29-48,55-74H2,1-6H3,(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(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)(H2,190,211,258)(H2,191,212,259)(H2,192,213,260)(H2,193,214,261)(H2,194,215,262)(H2,195,216,263)(H2,196,217,264)(H2,197,218,265)(H2,198,219,266)(H2,199,220,267)(H2,200,221,268)(H2,201,204,206)(H2,202,205,207)(H,224,251,269)(H,225,252,270)(H,226,253,271)(H,227,254,272)(H,228,255,273)(H,229,256,274)(H2,275,276,277)(H3,203,222,223,257)

InChIKey

OKOCPAOVPZZVFR-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16197343