Ar-177 free acid

Structural Information

Molecular Formula

C₁₇₀H₂₁₀N₇₀O₁₀₃P₁₆S₂

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=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(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)O

InChI

InChI=1S/C170H210N70O103P16S2/c1-57-23-224(166(260)219-137(57)243)96-6-62(242)80(312-96)29-309-358(293,360)343-78-22-112(240-56-194-124-136(240)206-165(182)218-153(124)259)327-94(78)43-308-357(291,292)341-77-21-111(239-55-193-123-135(239)205-164(181)217-152(123)258)326-93(77)42-307-356(289,290)337-73-17-107(235-51-189-119-131(235)201-160(177)213-148(119)254)319-86(73)35-300-346(269,270)330-66-10-99(227-26-60(4)140(246)222-169(227)263)315-83(66)32-297-350(277,278)334-70-14-104(232-48-186-116-128(232)198-157(174)210-145(116)251)323-90(70)39-304-355(287,288)340-76-20-110(238-54-192-122-134(238)204-163(180)216-151(122)257)325-92(76)41-306-352(281,282)336-72-16-106(234-50-188-118-130(234)200-159(176)212-147(118)253)318-85(72)34-299-345(267,268)329-65-9-98(226-25-59(3)139(245)221-168(226)262)314-82(65)31-296-349(275,276)333-69-13-103(231-47-185-115-127(231)197-156(173)209-144(115)250)322-89(69)38-303-354(285,286)339-75-19-109(237-53-191-121-133(237)203-162(179)215-150(121)256)324-91(75)40-305-351(279,280)335-71-15-105(233-49-187-117-129(233)199-158(175)211-146(117)252)317-84(71)33-298-344(265,266)328-64-8-97(225-24-58(2)138(244)220-167(225)261)313-81(64)30-295-348(273,274)332-68-12-102(230-46-184-114-126(230)196-155(172)208-143(114)249)321-88(68)37-302-353(283,284)338-74-18-108(236-52-190-120-132(236)202-161(178)214-149(120)255)320-87(74)36-301-347(271,272)331-67-11-100(228-27-61(5)141(247)223-170(228)264)316-95(67)44-310-359(294,361)342-63-7-101(311-79(63)28-241)229-45-183-113-125(229)195-154(171)207-142(113)248/h23-27,45-56,62-112,241-242H,6-22,28-44H2,1-5H3,(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,293,360)(H,294,361)(H,219,243,260)(H,220,244,261)(H,221,245,262)(H,222,246,263)(H,223,247,264)(H3,171,195,207,248)(H3,172,196,208,249)(H3,173,197,209,250)(H3,174,198,210,251)(H3,175,199,211,252)(H3,176,200,212,253)(H3,177,201,213,254)(H3,178,202,214,255)(H3,179,203,215,256)(H3,180,204,216,257)(H3,181,205,217,258)(H3,182,206,218,259)

InChIKey

FTRWNHBXCNPGCA-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16129728
• CID 16130283