Gem 91-1 mis

Structural Information

Molecular Formula

C₂₃₈H₃₁₀N₇₄O₁₃₀P₂₄S₂₄

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(=S)(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(OC1COP(=S)(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(OC1COP(=S)(O)OC1CC(OC1CO)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=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=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=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C238H310N74O130P24S24/c1-100-59-300(230(337)279-207(100)315)171-34-109(314)135(395-171)69-370-443(346,467)420-111-36-173(289-23-11-160(240)266-219(289)326)396-136(111)70-375-455(358,479)435-126-51-188(305-64-105(6)212(320)284-235(305)342)412-152(126)86-387-461(364,485)437-128-53-190(307-66-107(8)214(322)286-237(307)344)411-151(128)85-386-448(351,472)424-115-40-177(293-27-15-164(244)270-223(293)330)398-138(115)72-373-446(349,470)422-113-38-175(291-25-13-162(242)268-221(291)328)400-140(113)74-377-457(360,481)432-123-48-185(302-61-102(3)209(317)281-232(302)339)408-148(123)82-384-450(353,474)426-117-42-179(295-29-17-166(246)272-225(295)332)402-142(117)76-378-458(361,482)433-124-49-186(303-62-103(4)210(318)282-233(303)340)409-149(124)83-385-451(354,475)427-118-43-180(296-30-18-167(247)273-226(296)333)403-143(118)77-379-460(363,484)436-127-52-189(306-65-106(7)213(321)285-236(306)343)413-153(127)87-388-466(369,490)441-132-57-194(311-98-263-198-202(253)257-95-260-205(198)311)417-157(132)91-392-462(365,486)438-129-54-191(308-67-108(9)215(323)287-238(308)345)414-154(129)88-389-465(368,489)440-131-56-193(310-97-262-197-201(252)256-94-259-204(197)310)416-156(131)90-391-452(355,476)428-119-44-181(297-31-19-168(248)274-227(297)334)399-139(119)73-374-445(348,469)421-112-37-174(290-24-12-161(241)267-220(290)327)397-137(112)71-372-447(350,471)423-114-39-176(292-26-14-163(243)269-222(292)329)405-145(114)79-381-463(366,487)439-130-55-192(309-96-261-196-200(251)255-93-258-203(196)309)415-155(130)89-390-453(356,477)429-121-46-183(299-33-21-170(250)276-229(299)336)406-146(121)80-382-464(367,488)442-133-58-195(312-99-264-199-206(312)277-217(254)278-216(199)324)418-158(133)92-393-454(357,478)430-120-45-182(298-32-20-169(249)275-228(298)335)404-144(120)78-380-459(362,483)434-125-50-187(304-63-104(5)211(319)283-234(304)341)410-150(125)84-383-449(352,473)425-116-41-178(294-28-16-165(245)271-224(294)331)401-141(116)75-376-456(359,480)431-122-47-184(301-60-101(2)208(316)280-231(301)338)407-147(122)81-371-444(347,468)419-110-35-172(394-134(110)68-313)288-22-10-159(239)265-218(288)325/h10-33,59-67,93-99,109-158,171-195,313-314H,34-58,68-92H2,1-9H3,(H,346,467)(H,347,468)(H,348,469)(H,349,470)(H,350,471)(H,351,472)(H,352,473)(H,353,474)(H,354,475)(H,355,476)(H,356,477)(H,357,478)(H,358,479)(H,359,480)(H,360,481)(H,361,482)(H,362,483)(H,363,484)(H,364,485)(H,365,486)(H,366,487)(H,367,488)(H,368,489)(H,369,490)(H2,239,265,325)(H2,240,266,326)(H2,241,267,327)(H2,242,268,328)(H2,243,269,329)(H2,244,270,330)(H2,245,271,331)(H2,246,272,332)(H2,247,273,333)(H2,248,274,334)(H2,249,275,335)(H2,250,276,336)(H2,251,255,258)(H2,252,256,259)(H2,253,257,260)(H,279,315,337)(H,280,316,338)(H,281,317,339)(H,282,318,340)(H,283,319,341)(H,284,320,342)(H,285,321,343)(H,286,322,344)(H,287,323,345)(H3,254,277,278,324)

InChIKey

WHSAVTFCMNRTLC-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204684
• CID 16204688