I-100-22

Structural Information

Molecular Formula

C₁₇₀H₂₁₀N₇₀O₈₉P₁₆S₁₆

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(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)S)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)O

InChI

InChI=1S/C170H210N70O89P16S16/c1-57-23-224(166(260)219-137(57)243)96-6-62(242)80(298-96)29-281-330(265,346)319-68-12-102(230-46-184-114-126(230)196-155(172)208-143(114)249)303-85(68)34-290-339(274,355)327-76-20-110(238-54-192-122-134(238)204-163(180)216-151(122)257)311-93(76)42-294-341(276,357)324-73-17-107(235-51-189-119-131(235)201-160(177)213-148(119)254)305-87(73)36-287-333(268,349)317-66-10-99(227-26-60(4)140(246)222-169(227)263)301-83(66)32-284-337(272,353)321-70-14-104(232-48-186-116-128(232)198-157(174)210-145(116)251)309-91(70)40-292-344(279,360)329-78-22-112(240-56-194-124-136(240)206-165(182)218-153(124)259)313-95(78)44-296-343(278,359)326-75-19-109(237-53-191-121-133(237)203-162(179)215-150(121)256)307-89(75)38-289-335(270,351)318-67-11-100(228-27-61(5)141(247)223-170(228)264)302-84(67)33-285-338(273,354)322-71-15-105(233-49-187-117-129(233)199-158(175)211-146(117)252)310-92(71)41-293-345(280,361)328-77-21-111(239-55-193-123-135(239)205-164(181)217-152(123)258)312-94(77)43-295-342(277,358)325-74-18-108(236-52-190-120-132(236)202-161(178)214-149(120)255)306-88(74)37-288-334(269,350)316-65-9-98(226-25-59(3)139(245)221-168(226)262)300-82(65)31-283-336(271,352)320-69-13-103(231-47-185-115-127(231)197-156(173)209-144(115)250)308-90(69)39-291-340(275,356)323-72-16-106(234-50-188-118-130(234)200-159(176)212-147(118)253)304-86(72)35-286-332(267,348)315-64-8-97(225-24-58(2)138(244)220-167(225)261)299-81(64)30-282-331(266,347)314-63-7-101(297-79(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,265,346)(H,266,347)(H,267,348)(H,268,349)(H,269,350)(H,270,351)(H,271,352)(H,272,353)(H,273,354)(H,274,355)(H,275,356)(H,276,357)(H,277,358)(H,278,359)(H,279,360)(H,280,361)(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

XMMCZYIJPIBTRY-UHFFFAOYSA-N

Compound name

1-[5-[[[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-[[[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-[[[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-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[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]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16204694