Sa-25

Structural Information

Molecular Formula

C₂₄₃H₃₀₈N₉₃O₁₂₄P₂₅S₂₅

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

InChI

InChI=1S/C243H308N93O124P25S25/c1-97-46-319(238(355)306-217(97)338)168-29-111(444-470(371,495)391-56-132-106(24-163(415-132)314-16-9-155(246)293-233(314)350)439-465(366,490)397-62-138-115(33-172(421-138)323-50-101(5)221(342)310-242(323)359)448-474(375,499)411-76-152-127(45-184(436-152)336-96-290-196-216(336)301-230(262)305-226(196)347)460-485(386,510)408-73-149-124(41-180(433-149)332-92-286-192-204(258)270-84-278-212(192)332)457-482(383,507)405-67-143-118(35-174(427-143)326-86-280-186-198(252)264-78-272-206(186)326)451-462(363,487)388-52-128-103(337)21-160(412-128)325-85-279-185-197(251)263-77-271-205(185)325)139(422-168)63-398-472(373,497)446-113-31-170(321-48-99(3)219(340)308-240(321)357)423-140(113)64-399-480(381,505)455-122-39-178(330-90-284-190-202(256)268-82-276-210(190)330)431-147(122)71-406-483(384,508)456-123-40-179(331-91-285-191-203(257)269-83-277-211(191)331)429-145(123)69-403-467(368,492)441-108-26-165(316-18-11-157(248)295-235(316)352)414-131(108)55-390-463(364,488)437-104-22-161(312-14-7-153(244)291-231(312)348)413-130(104)54-389-464(365,489)438-105-23-162(313-15-8-154(245)292-232(313)349)418-135(105)59-394-477(378,502)452-119-36-175(327-87-281-187-199(253)265-79-273-207(187)327)428-144(119)68-402-468(369,493)442-110-28-167(318-20-13-159(250)297-237(318)354)419-136(110)60-395-478(379,503)453-120-37-176(328-88-282-188-200(254)266-80-274-208(188)328)432-148(120)72-407-484(385,509)459-126-44-183(335-95-289-195-215(335)300-229(261)304-225(195)346)434-150(126)74-409-469(370,494)443-109-27-166(317-19-12-158(249)296-236(317)353)416-133(109)57-392-471(372,496)445-112-30-169(320-47-98(2)218(339)307-239(320)356)425-142(112)66-401-481(382,506)458-125-43-182(334-94-288-194-214(334)299-228(260)303-224(194)345)435-151(125)75-410-475(376,500)449-116-34-173(324-51-102(6)222(343)311-243(324)360)424-141(116)65-400-479(380,504)454-121-38-177(329-89-283-189-201(255)267-81-275-209(189)329)430-146(121)70-404-473(374,498)447-114-32-171(322-49-100(4)220(341)309-241(322)358)420-137(114)61-396-466(367,491)440-107-25-164(315-17-10-156(247)294-234(315)351)417-134(107)58-393-476(377,501)450-117-42-181(426-129(117)53-387-461(361,362)486)333-93-287-193-213(333)298-227(259)302-223(193)344/h7-20,46-51,77-96,103-152,160-184,337H,21-45,52-76H2,1-6H3,(H,363,487)(H,364,488)(H,365,489)(H,366,490)(H,367,491)(H,368,492)(H,369,493)(H,370,494)(H,371,495)(H,372,496)(H,373,497)(H,374,498)(H,375,499)(H,376,500)(H,377,501)(H,378,502)(H,379,503)(H,380,504)(H,381,505)(H,382,506)(H,383,507)(H,384,508)(H,385,509)(H,386,510)(H2,244,291,348)(H2,245,292,349)(H2,246,293,350)(H2,247,294,351)(H2,248,295,352)(H2,249,296,353)(H2,250,297,354)(H2,251,263,271)(H2,252,264,272)(H2,253,265,273)(H2,254,266,274)(H2,255,267,275)(H2,256,268,276)(H2,257,269,277)(H2,258,270,278)(H,306,338,355)(H,307,339,356)(H,308,340,357)(H,309,341,358)(H,310,342,359)(H,311,343,360)(H2,361,362,486)(H3,259,298,302,344)(H3,260,299,303,345)(H3,261,300,304,346)(H3,262,301,305,347)

InChIKey

MYMAULWBUVMECN-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204677