M(dn18t)

Structural Information

Molecular Formula

C₁₇₃H₂₂₁N₆₄O₁₀₉P₁₇S

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3CO)N4C=NC5=C4N=C(NC5=O)N)OP(=O)(O)OCC6C(CC(O6)N7C=CC(=NC7=O)N)OP(=O)(O)OCC8C(CC(O8)N9C=C(C(=NC9=O)N)S)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=C(C(=O)NC1=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=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=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C173H221N64O109P17S/c1-66-35-226(170(257)216-147(66)240)120-25-78(96(320-120)48-296-348(263,264)330-71-18-125(312-88(71)40-238)232-60-191-132-141(232)204-157(182)210-151(132)244)337-354(275,276)298-43-91-75(22-117(315-91)223-14-8-110(177)200-166(223)253)334-351(269,270)306-52-100-82(29-124(324-100)230-39-106(364)138(180)203-169(230)256)341-356(279,280)300-45-93-74(21-116(317-93)222-13-7-109(176)199-165(222)252)333-350(267,268)303-49-97-81(28-123(321-97)229-38-69(4)150(243)219-173(229)260)340-358(283,284)309-55-103-85(32-128(327-103)235-63-194-135-144(235)207-160(185)213-154(135)247)344-361(289,290)305-51-99-80(27-122(323-99)228-37-68(3)149(242)218-172(228)259)339-357(281,282)304-50-98-79(26-121(322-98)227-36-67(2)148(241)217-171(227)258)338-355(277,278)299-44-92-76(23-118(316-92)224-15-9-111(178)201-167(224)254)335-352(271,272)308-54-102-86(33-129(326-102)236-64-195-136-145(236)208-161(186)214-155(136)248)345-362(291,292)311-57-105-87(34-130(329-105)237-65-196-137-146(237)209-162(187)215-156(137)249)346-363(293,294)310-56-104-84(31-127(328-104)234-62-193-134-143(234)206-159(184)212-153(134)246)343-360(287,288)302-47-95-77(24-119(319-95)225-16-10-112(179)202-168(225)255)336-353(273,274)307-53-101-83(30-126(325-101)233-61-192-133-142(233)205-158(183)211-152(133)245)342-359(285,286)301-46-94-73(20-115(318-94)221-12-6-108(175)198-164(221)251)332-349(265,266)297-42-90-72(19-114(314-90)220-11-5-107(174)197-163(220)250)331-347(261,262)295-41-89-70(239)17-113(313-89)231-59-190-131-139(181)188-58-189-140(131)231/h5-16,35-39,58-65,70-105,113-130,238-239,364H,17-34,40-57H2,1-4H3,(H,261,262)(H,263,264)(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)(H2,174,197,250)(H2,175,198,251)(H2,176,199,252)(H2,177,200,253)(H2,178,201,254)(H2,179,202,255)(H2,180,203,256)(H2,181,188,189)(H,216,240,257)(H,217,241,258)(H,218,242,259)(H,219,243,260)(H3,182,204,210,244)(H3,183,205,211,245)(H3,184,206,212,246)(H3,185,207,213,247)(H3,186,208,214,248)(H3,187,209,215,249)

InChIKey

GGPUQNQXDCACQD-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16186086