Rev2-28

Structural Information

Molecular Formula

C₂₇₀H₃₄₇N₉₃O₁₄₇P₂₈S₂₈

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)O)N8C=CC(=NC8=O)N)N9C=C(C(=O)NC9=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C270H347N93O147P28S28/c1-107-58-346(262(390)327-231(107)365)193-41-127(156(468-193)79-440-518(407,546)489-122-36-188(341-25-15-177(276)310-257(341)385)464-152(122)75-436-526(415,554)497-130-44-196(349-61-110(4)234(368)330-265(349)393)475-163(130)86-447-535(424,563)508-141-55-207(361-104-302-216-228(361)318-249(287)324-243(216)377)481-169(141)92-453-530(419,558)501-133-47-199(352-64-113(7)237(371)333-268(352)396)467-155(133)78-439-513(402,541)484-117-31-183(336-20-10-172(271)305-252(336)380)457-145(117)68-428-511(399,400)539)494-523(412,551)433-72-149-119(33-185(461-149)338-22-12-174(273)307-254(338)382)486-515(404,543)432-71-148-126(40-192(460-148)345-29-19-181(280)314-261(345)389)493-522(411,550)451-90-167-139(53-205(479-167)359-102-300-214-226(359)316-247(285)322-241(214)375)506-532(421,560)438-77-154-124(38-190(466-154)343-27-17-179(278)312-259(343)387)491-520(409,548)442-81-158-132(46-198(470-158)351-63-112(6)236(370)332-267(351)395)499-528(417,556)445-84-161-129(43-195(473-161)348-60-109(3)233(367)329-264(348)392)496-525(414,553)435-74-151-123(37-189(463-151)342-26-16-178(277)311-258(342)386)490-519(408,547)441-80-157-131(45-197(469-157)350-62-111(5)235(369)331-266(350)394)498-527(416,555)444-83-160-128(42-194(472-160)347-59-108(2)232(366)328-263(347)391)495-524(413,552)434-73-150-118(32-184(462-150)337-21-11-173(272)306-253(337)381)485-514(403,542)430-69-146-121(35-187(458-146)340-24-14-176(275)309-256(340)384)488-517(406,545)443-82-159-134(48-200(471-159)353-65-114(8)238(372)334-269(353)397)502-531(420,559)452-91-168-140(54-206(480-168)360-103-301-215-227(360)317-248(286)323-242(215)376)507-533(422,561)437-76-153-120(34-186(465-153)339-23-13-175(274)308-255(339)383)487-516(405,544)431-70-147-125(39-191(459-147)344-28-18-180(279)313-260(344)388)492-521(410,549)448-88-165-137(51-203(477-165)356-99-297-211-220(282)291-96-294-223(211)356)504-534(423,562)446-85-162-135(49-201(474-162)354-66-115(9)239(373)335-270(354)398)500-529(418,557)449-89-166-138(52-204(478-166)357-100-298-212-221(283)292-97-295-224(212)357)505-536(425,564)454-93-170-143(57-209(482-170)363-106-304-218-230(363)320-251(289)326-245(218)379)510-538(427,566)455-94-171-142(56-208(483-171)362-105-303-217-229(362)319-250(288)325-244(217)378)509-537(426,565)450-87-164-136(50-202(476-164)355-98-296-210-219(281)290-95-293-222(210)355)503-512(401,540)429-67-144-116(364)30-182(456-144)358-101-299-213-225(358)315-246(284)321-240(213)374/h10-29,58-66,95-106,116-171,182-209,364H,30-57,67-94H2,1-9H3,(H,401,540)(H,402,541)(H,403,542)(H,404,543)(H,405,544)(H,406,545)(H,407,546)(H,408,547)(H,409,548)(H,410,549)(H,411,550)(H,412,551)(H,413,552)(H,414,553)(H,415,554)(H,416,555)(H,417,556)(H,418,557)(H,419,558)(H,420,559)(H,421,560)(H,422,561)(H,423,562)(H,424,563)(H,425,564)(H,426,565)(H,427,566)(H2,271,305,380)(H2,272,306,381)(H2,273,307,382)(H2,274,308,383)(H2,275,309,384)(H2,276,310,385)(H2,277,311,386)(H2,278,312,387)(H2,279,313,388)(H2,280,314,389)(H2,281,290,293)(H2,282,291,294)(H2,283,292,295)(H,327,365,390)(H,328,366,391)(H,329,367,392)(H,330,368,393)(H,331,369,394)(H,332,370,395)(H,333,371,396)(H,334,372,397)(H,335,373,398)(H2,399,400,539)(H3,284,315,321,374)(H3,285,316,322,375)(H3,286,317,323,376)(H3,287,318,324,377)(H3,288,319,325,378)(H3,289,320,326,379)

InChIKey

HDXONLQUIWVOHC-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204682