Ro6(24)[dna-cu]

Structural Information

Molecular Formula

C₂₂₇H₃₀₈N₁₀₉O₁₁₉P₂₃

SMILES

C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(NC4CC(OC4COP(=O)(NC5CC(OC5COP(=O)(NC6CC(OC6COP(=O)(NC7CC(OC7COP(=O)(NC8CC(OC8COP(=O)(NC9CC(OC9COP(=O)(NC1CC(OC1CO)N1C=NC2=C(N=CN=C21)N)O)N1C=CC(=NC1=O)N)O)N1C=NC2=C(N=CN=C21)N)O)N1C=NC2=C(N=CN=C21)N)O)N1C=CC(=NC1=O)N)O)N1C=NC2=C(N=CN=C21)N)O)N1C=CC(=NC1=O)N)O)CP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=CC(=O)NC1=O)NP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)NP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=CC(=O)NC1=O)NP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=CC(=O)NC1=O)NP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=CC(=O)NC1=O)NP(=O)(O)OCC1C(CC(O1)N1C=CC(=O)NC1=O)NP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=CC(=O)NC1=O)N

InChI

InChI=1S/C227H308N109O119P23/c228-94-30-156(321-23-9-149(338)275-222(321)357)434-119(94)55-411-459(369,370)305-113-49-175(333-89-263-185-200(333)282-210(243)287-205(185)345)452-137(113)73-428-470(391,392)303-107-43-168(325-27-13-153(342)279-226(325)361)444-129(107)65-418-465(381,382)302-106-42-167(324-26-12-152(341)278-225(324)360)446-131(106)67-421-476(403,404)311-115-51-177(335-91-265-187-202(335)284-212(245)289-207(187)347)454-139(115)75-430-471(393,394)304-108-44-169(326-28-14-154(343)280-227(326)362)447-132(108)68-423-477(405,406)310-114-50-176(334-90-264-186-201(334)283-211(244)288-206(186)346)453-138(114)74-429-469(389,390)299-102-38-163(319-21-7-147(235)273-220(319)355)441-126(102)62-417-464(379,380)301-105-41-166(323-25-11-151(340)277-224(323)359)445-130(105)66-422-478(407,408)312-116-52-178(336-92-266-188-203(336)285-213(246)290-208(188)348)455-140(116)76-431-475(401,402)309-112-48-174(331-87-261-183-193(241)251-82-256-198(183)331)450-135(112)71-426-467(385,386)297-101-37-162(318-20-6-146(234)272-219(318)354)440-125(101)60-415-462(375,376)294-99-35-160(316-18-4-144(232)270-217(316)352)438-123(99)59-414-461(373,374)295-100-36-161(317-19-5-145(233)271-218(317)353)439-124(100)61-416-463(377,378)300-104-40-165(322-24-10-150(339)276-223(322)358)443-128(104)64-413-460(371,372)292-96-32-157(313-15-1-141(229)267-214(313)349)435-120(96)56-409-456(363,364)77-93-29-155(332-88-262-184-199(332)281-209(242)286-204(184)344)433-118(93)54-410-458(367,368)293-97-33-158(314-16-2-142(230)268-215(314)350)437-122(97)58-419-472(395,396)306-109-45-171(328-84-258-180-190(238)248-79-253-195(180)328)448-133(109)69-425-468(387,388)298-103-39-164(320-22-8-148(236)274-221(320)356)442-127(103)63-420-473(397,398)307-110-46-172(329-85-259-181-191(239)249-80-254-196(181)329)451-136(110)72-427-474(399,400)308-111-47-173(330-86-260-182-192(240)250-81-255-197(182)330)449-134(111)70-424-466(383,384)296-98-34-159(315-17-3-143(231)269-216(315)351)436-121(98)57-412-457(365,366)291-95-31-170(432-117(95)53-337)327-83-257-179-189(237)247-78-252-194(179)327/h1-28,78-140,155-178,337H,29-77,228H2,(H,363,364)(H2,229,267,349)(H2,230,268,350)(H2,231,269,351)(H2,232,270,352)(H2,233,271,353)(H2,234,272,354)(H2,235,273,355)(H2,236,274,356)(H2,237,247,252)(H2,238,248,253)(H2,239,249,254)(H2,240,250,255)(H2,241,251,256)(H,275,338,357)(H,276,339,358)(H,277,340,359)(H,278,341,360)(H,279,342,361)(H,280,343,362)(H2,291,365,366)(H2,292,371,372)(H2,293,367,368)(H2,294,375,376)(H2,295,373,374)(H2,296,383,384)(H2,297,385,386)(H2,298,387,388)(H2,299,389,390)(H2,300,377,378)(H2,301,379,380)(H2,302,381,382)(H2,303,391,392)(H2,304,393,394)(H2,305,369,370)(H2,306,395,396)(H2,307,397,398)(H2,308,399,400)(H2,309,401,402)(H2,310,405,406)(H2,311,403,404)(H2,312,407,408)(H3,242,281,286,344)(H3,243,282,287,345)(H3,244,283,288,346)(H3,245,284,289,347)(H3,246,285,290,348)

InChIKey

OBTVWSFZQFKNBZ-UHFFFAOYSA-N

Compound name

[3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[[2-[[[[2-[[[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[[[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-[[[[2-[[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]methyl-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]phosphonamidic acid

Related CIDs

• CID 16728947