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Structural Information

Molecular Formula

C₁₇₇H₂₂₄N₆₃O₁₁₀P₁₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3CO)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C(N=CN=C87)N)OP(=O)(O)OCC9C(CC(O9)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=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=NC2=C1N=C(NC2=O)N)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=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=NC2=C1N=C(NC2=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=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C177H224N63O110P17/c1-68-32-226(171(258)216-151(68)243)117-18-79(337-351(265,266)299-40-94-75(242)14-114(317-94)223-11-8-111(178)203-168(223)255)98(321-117)44-304-355(273,274)338-81-20-119(228-34-70(3)153(245)218-173(228)260)322-99(81)45-303-353(269,270)335-77-16-115(224-12-9-112(179)204-169(224)256)318-95(77)41-301-361(285,286)346-88-27-127(236-63-198-135-146(236)206-163(184)211-158(135)250)332-109(88)55-314-367(297,298)350-92-31-131(240-67-202-139-150(240)210-167(188)215-162(139)254)331-108(92)54-313-360(283,284)343-85-24-123(232-38-74(7)157(249)222-177(232)264)326-103(85)49-308-364(291,292)345-87-26-126(235-62-197-134-142(183)191-59-194-145(134)235)328-105(87)51-310-365(293,294)348-90-29-129(238-65-200-137-148(238)208-165(186)213-160(137)252)329-106(90)52-311-354(271,272)336-78-17-116(225-13-10-113(180)205-170(225)257)319-96(78)42-302-362(287,288)347-89-28-128(237-64-199-136-147(237)207-164(185)212-159(136)251)333-110(89)56-315-366(295,296)349-91-30-130(239-66-201-138-149(239)209-166(187)214-161(138)253)330-107(91)53-312-359(281,282)342-84-23-122(231-37-73(6)156(248)221-176(231)263)324-101(84)47-306-356(275,276)339-82-21-120(229-35-71(4)154(246)219-174(229)261)323-100(82)46-305-357(277,278)340-83-22-121(230-36-72(5)155(247)220-175(230)262)325-102(83)48-307-363(289,290)344-86-25-125(234-61-196-133-141(182)190-58-193-144(133)234)327-104(86)50-309-358(279,280)341-80-19-118(227-33-69(2)152(244)217-172(227)259)320-97(80)43-300-352(267,268)334-76-15-124(316-93(76)39-241)233-60-195-132-140(181)189-57-192-143(132)233/h8-13,32-38,57-67,75-110,114-131,241-242H,14-31,39-56H2,1-7H3,(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H2,178,203,255)(H2,179,204,256)(H2,180,205,257)(H2,181,189,192)(H2,182,190,193)(H2,183,191,194)(H,216,243,258)(H,217,244,259)(H,218,245,260)(H,219,246,261)(H,220,247,262)(H,221,248,263)(H,222,249,264)(H3,184,206,211,250)(H3,185,207,212,251)(H3,186,208,213,252)(H3,187,209,214,253)(H3,188,210,215,254)

InChIKey

QAOIWVZTHIWLSW-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 123132008