Ro6(24)[dna-mal]

Structural Information

Molecular Formula

C₂₂₉H₃₀₉N₁₁₄O₁₁₈P₂₃

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=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=CC(=NC1=O)N)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=NC2=C1N=C(NC2=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)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/C229H309N114O118P23/c230-92-26-152(327-20-8-146(345)279-225(327)364)440-117(92)51-417-465(375,376)311-110-44-170(339-86-267-182-199(339)286-213(245)293-206(182)352)457-134(110)68-433-474(393,394)308-103-37-162(330-23-11-149(348)282-228(330)367)448-126(103)60-422-469(383,384)307-102-36-161(329-22-10-148(347)281-227(329)366)450-128(102)62-427-481(407,408)317-112-46-172(341-88-269-184-201(341)288-215(247)295-208(184)354)459-136(112)71-436-475(395,396)309-104-38-163(331-24-12-150(349)283-229(331)368)451-129(104)63-428-482(409,410)316-111-45-171(340-87-268-183-200(340)287-214(246)294-207(183)353)458-135(111)69-434-473(391,392)305-100-34-159(326-19-7-145(237)278-224(326)363)447-125(100)59-426-479(403,404)314-108-41-167(335-82-263-178-190(241)253-77-258-195(178)335)456-133(108)67-432-483(411,412)318-114-48-174(343-90-271-186-203(343)290-217(249)297-210(186)356)461-138(114)72-437-484(413,414)319-113-47-173(342-89-270-185-202(342)289-216(248)296-209(185)355)460-137(113)70-435-472(389,390)304-98-32-157(324-17-5-143(235)276-222(324)361)445-123(98)56-420-467(379,380)300-96-30-155(322-15-3-141(233)274-220(322)359)443-121(96)55-419-466(377,378)301-97-31-156(323-16-4-142(234)275-221(323)360)444-122(97)57-421-468(381,382)306-101-35-160(328-21-9-147(346)280-226(328)365)449-127(101)61-423-476(397,398)310-105-43-169(338-85-266-181-198(338)285-212(244)292-205(181)351)452-118(105)52-415-462(369,370)73-91-25-151(337-84-265-180-197(337)284-211(243)291-204(180)350)439-116(91)50-416-464(373,374)299-94-28-153(320-13-1-139(231)272-218(320)357)442-120(94)54-424-477(399,400)312-106-39-165(333-80-261-176-188(239)251-75-256-193(176)333)453-130(106)64-430-471(387,388)303-99-33-158(325-18-6-144(236)277-223(325)362)446-124(99)58-425-478(401,402)313-107-40-166(334-81-262-177-189(240)252-76-257-194(177)334)455-132(107)66-431-480(405,406)315-109-42-168(336-83-264-179-191(242)254-78-259-196(179)336)454-131(109)65-429-470(385,386)302-95-29-154(321-14-2-140(232)273-219(321)358)441-119(95)53-418-463(371,372)298-93-27-164(438-115(93)49-344)332-79-260-175-187(238)250-74-255-192(175)332/h1-24,74-138,151-174,344H,25-73,230H2,(H,369,370)(H2,231,272,357)(H2,232,273,358)(H2,233,274,359)(H2,234,275,360)(H2,235,276,361)(H2,236,277,362)(H2,237,278,363)(H2,238,250,255)(H2,239,251,256)(H2,240,252,257)(H2,241,253,258)(H2,242,254,259)(H,279,345,364)(H,280,346,365)(H,281,347,366)(H,282,348,367)(H,283,349,368)(H2,298,371,372)(H2,299,373,374)(H2,300,379,380)(H2,301,377,378)(H2,302,385,386)(H2,303,387,388)(H2,304,389,390)(H2,305,391,392)(H2,306,381,382)(H2,307,383,384)(H2,308,393,394)(H2,309,395,396)(H2,310,397,398)(H2,311,375,376)(H2,312,399,400)(H2,313,401,402)(H2,314,403,404)(H2,315,405,406)(H2,316,409,410)(H2,317,407,408)(H2,318,411,412)(H2,319,413,414)(H3,243,284,291,350)(H3,244,285,292,351)(H3,245,286,293,352)(H3,246,287,294,353)(H3,247,288,295,354)(H3,248,289,296,355)(H3,249,290,297,356)

InChIKey

BIJGCFIWCQCECI-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-[[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[[2-[[[[2-[[[[2-[[[[2-[[[[5-(2-amino-6-oxo-1H-purin-9-yl)-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]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]oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-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 16728946