Molecule ID: 91865193

IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-dihydroxyphosphinothioyloxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

Description: The molecule is a phosphorothioate oligonucleotide consisting of twenty 2'-deoxyguanosine residues connected via 3'->5' phosphodiester linkages. It has a role as an antigen and an antisense oligonucleotide.

SMILES: N=c1nc(O)c2ncn([C@H]3C[C@H](OP(O)(O)=S)[C@@H](COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(O)(=S)O[C@H]4C[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4CO)O3)c2[nH]1

SELFIES: [N][=C][N][=C][Branch1][C][O][C][N][=C][N][Branch3][Ring2][P][S][C@H1][C][C@H1][Branch1][#Branch2][O][P][Branch1][C][O][Branch1][C][O][=S][C@@H1][Branch3][Ring2][S][Branch2][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][O][Ring3][Ring1][N][=C][C][=Ring3][Ring1][=N][Ring1][NH1][Ring3][Ring1][=N][Branch2]

InChI: InChI=1S/C200H242N100O101P20S20/c201-181-241-141-121(161(302)261-181)221-41-281(141)101-1-61(81(21-301)362-101)383-403(324,423)344-23-83-63(3-103(364-83)283-43-223-123-143(283)243-183(203)263-163(123)304)385-405(326,425)346-25-85-65(5-105(366-85)285-45-225-125-145(285)245-185(205)265-165(125)306)387-407(328,427)348-27-87-67(7-107(368-87)287-47-227-127-147(287)247-187(207)267-167(127)308)389-409(330,429)350-29-89-69(9-109(370-89)289-49-229-129-149(289)249-189(209)269-169(129)310)391-411(332,431)352-31-91-71(11-111(372-91)291-51-231-131-151(291)251-191(211)271-171(131)312)393-413(334,433)354-33-93-73(13-113(374-93)293-53-233-133-153(293)253-193(213)273-173(133)314)395-415(336,435)356-35-95-75(15-115(376-95)295-55-235-135-155(295)255-195(215)275-175(135)316)397-417(338,437)358-37-97-77(17-117(378-97)297-57-237-137-157(297)257-197(217)277-177(137)318)399-419(340,439)360-39-99-79(19-119(380-99)299-59-239-139-159(299)259-199(219)279-179(139)320)401-421(342,441)361-40-100-80(20-120(381-100)300-60-240-140-160(300)260-200(220)280-180(140)321)400-420(341,440)359-38-98-78(18-118(379-98)298-58-238-138-158(298)258-198(218)278-178(138)319)398-418(339,438)357-36-96-76(16-116(377-96)296-56-236-136-156(296)256-196(216)276-176(136)317)396-416(337,436)355-34-94-74(14-114(375-94)294-54-234-134-154(294)254-194(214)274-174(134)315)394-414(335,434)353-32-92-72(12-112(373-92)292-52-232-132-152(292)252-192(212)272-172(132)313)392-412(333,432)351-30-90-70(10-110(371-90)290-50-230-130-150(290)250-190(210)270-170(130)311)390-410(331,430)349-28-88-68(8-108(369-88)288-48-228-128-148(288)248-188(208)268-168(128)309)388-408(329,428)347-26-86-66(6-106(367-86)286-46-226-126-146(286)246-186(206)266-166(126)307)386-406(327,426)345-24-84-64(4-104(365-84)284-44-224-124-144(284)244-184(204)264-164(124)305)384-404(325,424)343-22-82-62(382-402(322,323)422)2-102(363-82)282-42-222-122-142(282)242-182(202)262-162(122)303/h41-120,301H,1-40H2,(H,324,423)(H,325,424)(H,326,425)(H,327,426)(H,328,427)(H,329,428)(H,330,429)(H,331,430)(H,332,431)(H,333,432)(H,334,433)(H,335,434)(H,336,435)(H,337,436)(H,338,437)(H,339,438)(H,340,439)(H,341,440)(H,342,441)(H2,322,323,422)(H3,201,241,261,302)(H3,202,242,262,303)(H3,203,243,263,304)(H3,204,244,264,305)(H3,205,245,265,306)(H3,206,246,266,307)(H3,207,247,267,308)(H3,208,248,268,309)(H3,209,249,269,310)(H3,210,250,270,311)(H3,211,251,271,312)(H3,212,252,272,313)(H3,213,253,273,314)(H3,214,254,274,315)(H3,215,255,275,316)(H3,216,256,276,317)(H3,217,257,277,318)(H3,218,258,278,319)(H3,219,259,279,320)(H3,220,260,280,321)/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,403?,404?,405?,406?,407?,408?,409?,410?,411?,412?,413?,414?,415?,416?,417?,418?,419?,420?,421?/m0/s1

Molecular Properties:
- Polar Surface Area: 3300.0 Ų
- LogP: -15.4