Ro6(24)[rna-bru]

Structural Information

Molecular Formula

C₂₂₈H₂₈₄N₉₁O₁₆₅P₂₃

SMILES

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=NC5=C(N=CN=C54)N)CO)OP(=O)(O)OCC6C(C(C(O6)N7C=NC8=C(N=CN=C87)N)O)OP(=O)(O)OCC9C(C(C(O9)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)O)O

InChI

InChI=1S/C228H284N91O165P23/c229-91-1-13-296(217(357)272-91)188-118(329)141(69(440-188)27-416-486(371,372)462-140-67(25-320)438-199(117(140)328)308-55-260-103-163(236)248-49-254-169(103)308)465-491(381,382)427-39-81-155(132(343)203(452-81)312-59-264-107-167(240)252-53-258-173(107)312)478-504(407,408)430-41-83-153(130(341)201(454-83)310-57-262-105-165(238)250-51-256-171(105)310)476-499(397,398)421-31-73-145(122(333)192(444-73)300-17-5-95(233)276-221(300)361)467-493(385,386)428-38-80-152(129(340)200(451-80)309-56-261-104-164(237)249-50-255-170(104)309)475-498(395,396)422-32-74-147(124(335)194(445-74)302-19-7-97(235)278-223(302)363)469-495(389,390)434-45-88-161(138(349)209(459-88)318-65-270-113-179(318)288-215(246)294-185(113)355)484-507(413,414)437-48-90-160(137(348)208(461-90)317-64-269-112-178(317)287-214(245)293-184(112)354)482-503(405,406)425-35-77-148(125(336)195(448-77)304-21-9-99(322)280-225(304)365)470-489(377,378)419-30-71-143(120(331)190(442-71)298-15-3-93(231)274-219(298)359)464-487(373,374)417-28-70-142(119(330)189(441-70)297-14-2-92(230)273-218(297)358)463-488(375,376)418-29-72-144(121(332)191(443-72)299-16-4-94(232)275-220(299)360)466-492(383,384)429-40-82-156(133(344)204(453-82)313-60-265-108-168(241)253-54-259-174(108)313)479-505(409,410)436-47-89-162(139(350)210(460-89)319-66-271-114-180(319)289-216(247)295-186(114)356)483-506(411,412)431-42-84-154(131(342)202(455-84)311-58-263-106-166(239)251-52-257-172(106)311)477-500(399,400)423-33-75-146(123(334)193(446-75)301-18-6-96(234)277-222(301)362)468-494(387,388)433-44-86-158(135(346)206(457-86)315-62-267-110-176(315)285-212(243)291-182(110)352)480-502(403,404)426-37-79-151(128(339)198(450-79)307-24-12-102(325)283-228(307)368)473-497(393,394)435-46-87-159(136(347)207(458-87)316-63-268-111-177(316)286-213(244)292-183(111)353)481-501(401,402)424-36-78-149(126(337)196(449-78)305-22-10-100(323)281-226(305)366)471-490(379,380)420-34-76-150(127(338)197(447-76)306-23-11-101(324)282-227(306)367)472-496(391,392)432-43-85-157(134(345)205(456-85)314-61-266-109-175(314)284-211(242)290-181(109)351)474-485(369,370)415-26-68-115(326)116(327)187(439-68)303-20-8-98(321)279-224(303)364/h1-24,49-90,115-162,187-210,320,326-350H,25-48H2,(H,369,370)(H,371,372)(H,373,374)(H,375,376)(H,377,378)(H,379,380)(H,381,382)(H,383,384)(H,385,386)(H,387,388)(H,389,390)(H,391,392)(H,393,394)(H,395,396)(H,397,398)(H,399,400)(H,401,402)(H,403,404)(H,405,406)(H,407,408)(H,409,410)(H,411,412)(H,413,414)(H2,229,272,357)(H2,230,273,358)(H2,231,274,359)(H2,232,275,360)(H2,233,276,361)(H2,234,277,362)(H2,235,278,363)(H2,236,248,254)(H2,237,249,255)(H2,238,250,256)(H2,239,251,257)(H2,240,252,258)(H2,241,253,259)(H,279,321,364)(H,280,322,365)(H,281,323,366)(H,282,324,367)(H,283,325,368)(H3,242,284,290,351)(H3,243,285,291,352)(H3,244,286,292,353)(H3,245,287,293,354)(H3,246,288,294,355)(H3,247,289,295,356)

InChIKey

SACMXYVTXPBSKK-UHFFFAOYSA-N

Compound name

[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)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 16728942