Ro6(24)[dna-bru]

Structural Information

Molecular Formula

C₂₂₉H₃₀₉N₁₁₄O₁₁₇P₂₃

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=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=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/C229H309N114O117P23/c230-93-26-153(327-20-8-147(345)281-225(327)363)439-118(93)51-416-464(374,375)311-112-45-172(340-88-270-184-202(340)288-214(246)294-208(184)352)457-136(112)69-433-473(392,393)308-104-37-163(330-23-11-150(348)284-228(330)366)447-127(104)60-421-468(382,383)307-103-36-162(329-22-10-149(347)283-227(329)365)449-129(103)62-426-481(408,409)318-114-47-174(342-90-272-186-204(342)290-216(248)296-210(186)354)459-138(114)71-435-474(394,395)309-105-38-164(331-24-12-151(349)285-229(331)367)450-130(105)63-427-482(410,411)317-113-46-173(341-89-271-185-203(341)289-215(247)295-209(185)353)458-137(113)70-434-472(390,391)305-101-34-160(326-19-7-146(237)280-224(326)362)446-126(101)59-425-478(402,403)314-109-41-168(335-83-265-179-191(241)253-77-259-197(179)335)456-135(109)68-432-483(412,413)319-115-48-175(343-91-273-187-205(343)291-217(249)297-211(187)355)460-139(115)72-436-480(406,407)316-111-43-170(337-85-267-181-193(243)255-79-261-199(181)337)454-133(111)66-430-470(386,387)303-99-32-158(324-17-5-144(235)278-222(324)360)444-124(99)56-419-466(378,379)300-97-30-156(322-15-3-142(233)276-220(322)358)442-122(97)55-418-465(376,377)301-98-31-157(323-16-4-143(234)277-221(323)359)443-123(98)57-420-467(380,381)306-102-35-161(328-21-9-148(346)282-226(328)364)448-128(102)61-422-475(396,397)310-106-44-171(339-87-269-183-201(339)287-213(245)293-207(183)351)451-119(106)52-414-461(368,369)73-92-25-152(338-86-268-182-200(338)286-212(244)292-206(182)350)438-117(92)50-415-463(372,373)299-95-28-154(320-13-1-140(231)274-218(320)356)441-121(95)54-423-476(398,399)312-107-39-166(333-81-263-177-189(239)251-75-257-195(177)333)452-131(107)64-429-471(388,389)304-100-33-159(325-18-6-145(236)279-223(325)361)445-125(100)58-424-477(400,401)313-108-40-167(334-82-264-178-190(240)252-76-258-196(178)334)455-134(108)67-431-479(404,405)315-110-42-169(336-84-266-180-192(242)254-78-260-198(180)336)453-132(110)65-428-469(384,385)302-96-29-155(321-14-2-141(232)275-219(321)357)440-120(96)53-417-462(370,371)298-94-27-165(437-116(94)49-344)332-80-262-176-188(238)250-74-256-194(176)332/h1-24,74-139,152-175,344H,25-73,230H2,(H,368,369)(H2,231,274,356)(H2,232,275,357)(H2,233,276,358)(H2,234,277,359)(H2,235,278,360)(H2,236,279,361)(H2,237,280,362)(H2,238,250,256)(H2,239,251,257)(H2,240,252,258)(H2,241,253,259)(H2,242,254,260)(H2,243,255,261)(H,281,345,363)(H,282,346,364)(H,283,347,365)(H,284,348,366)(H,285,349,367)(H2,298,370,371)(H2,299,372,373)(H2,300,378,379)(H2,301,376,377)(H2,302,384,385)(H2,303,386,387)(H2,304,388,389)(H2,305,390,391)(H2,306,380,381)(H2,307,382,383)(H2,308,392,393)(H2,309,394,395)(H2,310,396,397)(H2,311,374,375)(H2,312,398,399)(H2,313,400,401)(H2,314,402,403)(H2,315,404,405)(H2,316,406,407)(H2,317,410,411)(H2,318,408,409)(H2,319,412,413)(H3,244,286,292,350)(H3,245,287,293,351)(H3,246,288,294,352)(H3,247,289,295,353)(H3,248,290,296,354)(H3,249,291,297,355)

InChIKey

KRHSRJHSGVFPAG-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-[[[[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]-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]-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 16728945