The molecule is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of [beta-D-Galf-(1->5)-beta-D-Galf-(1->6)]14-beta-D-Galf-(1->5)-beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol; major species at pH 7.3. It is a conjugate base of a [beta-D-Galf-(1->5)-beta-D-Galf-(1->6)]14-beta-D-Galf-(1->5)-beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol.
IUPAC name: [(2R,3R,4R,5S,6R)-3-acetamido-4-[(2S,3R,4S,5R,6S)-5-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenoxy]-oxidophosphoryl] phosphate
SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3O[C@@H]([C@@H](CO)O[C@@H]4O[C@@H]([C@H](O)CO[C@@H]5O[C@@H]([C@@H](CO)O[C@@H]6O[C@@H]([C@H](O)CO[C@@H]7O[C@@H]([C@@H](CO)O[C@@H]8O[C@@H]([C@H](O)CO[C@@H]9O[C@@H]([C@@H](CO)O[C@@H]%10O[C@@H]([C@H](O)CO[C@@H]%11O[C@@H]([C@@H](CO)O[C@@H]%12O[C@@H]([C@H](O)CO[C@@H]%13O[C@@H]([C@@H](CO)O[C@@H]%14O[C@@H]([C@H](O)CO[C@@H]%15O[C@@H]([C@@H](CO)O[C@@H]%16O[C@@H]([C@H](O)CO[C@@H]%17O[C@@H]([C@@H](CO)O[C@@H]%18O[C@@H]([C@H](O)CO[C@@H]%19O[C@@H]([C@@H](CO)O[C@@H]%20O[C@@H]([C@H](O)CO[C@@H]%21O[C@@H]([C@@H](CO)O[C@@H]%22O[C@@H]([C@H](O)CO[C@@H]%23O[C@@H]([C@@H](CO)O[C@@H]%24O[C@@H]([C@H](O)CO[C@@H]%25O[C@@H]([C@@H](CO)O[C@@H]%26O[C@@H]([C@H](O)CO[C@@H]%27O[C@@H]([C@@H](CO)O[C@@H]%28O[C@@H]([C@H](O)CO[C@@H]%29O[C@@H]([C@@H](CO)O[C@@H]%30O[C@@H]([C@H](O)CO[C@@H]%31O[C@@H]([C@@H](CO)O[C@@H]%32O[C@@H]([C@H](O)CO)[C@H](O)[C@H]%32O)[C@H](O)[C@H]%31O)[C@H](O)[C@H]%30O)[C@H](O)[C@H]%29O)[C@H](O)[C@H]%28O)[C@H](O)[C@H]%27O)[C@H](O)[C@H]%26O)[C@H](O)[C@H]%25O)[C@H](O)[C@H]%24O)[C@H](O)[C@H]%23O)[C@H](O)[C@H]%22O)[C@H](O)[C@H]%21O)[C@H](O)[C@H]%20O)[C@H](O)[C@H]%19O)[C@H](O)[C@H]%18O)[C@H](O)[C@H]%17O)[C@H](O)[C@H]%16O)[C@H](O)[C@H]%15O)[C@H](O)[C@H]%14O)[C@H](O)[C@H]%13O)[C@H](O)[C@H]%12O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H]1N=C(C)[O-]
SELFIES: [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch3][Ring2][N][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch3][Ring2][#Branch2][=C][O][C@@H1][O][C@@H1][Branch3][Ring2][=Branch2][N][C@@H1][Branch1][Ring1][C][O][O][C@@H1][O][C@@H1][Branch3][Ring2][Branch2][Branch1][C@H1][Branch1][C][O][C][O][C@@H1][O][C@@H1][Branch3][Ring2][=Branch1][=C][C@@H1][Branch1][Ring1][C][O][O][C@@H1][O][C@@H1][Branch3][Ring2][Branch1][#Branch1][C@H1][Branch1][C][O][C][O][C@@H1][O][C@@H1][Branch3][Ring2][Ring1][S][C@@H1][Branch1][Ring1][C][O][O][C@@H1][O][C@@H1][Branch3][Ring2][C][=Branch2][C@H1][Branch1][C][O][C][O][C@@H1][O][C@@H1][Branch3][Ring1][P][C][C@@H1][Branch1][Ring1][C][O][O][C@@H1][O][C@@H1][Branch3][Ring1][#C][N][C@H1][Branch1][C][O][C][O][C@@H1][O][C@@H1][Branch3][Ring1][=C][=Branch1][C@@H1][Branch1][Ring1][C][O][O][C@@H1][O][C@@H1][Branch3][Ring1][N][S][C@H1][Branch1][C][O][C][O][C@@H1][O][C@@H1][Branch3][Ring1][O][#Branch2][C@@H1][Branch1][Ring1][C][O][O][C@@H1][O][C@@H1][Branch3][Ring1][#Branch2][Ring2][C@H1][Branch1][C][O][C][O][C@@H1][O][C@@H1][Branch3][Ring1][Branch2][=C][C@@H1][Branch1][Ring1][C][O][O][C@@H1][O][C@@H1][Branch3][Ring1][#Branch1][Branch2][C@H1][Branch1][C][O][C][O][C@@H1][O][C@@H1][Branch3][Ring1][=Branch1][C][C@@H1][Branch1][Ring1][C][O][O][C@@H1][O][C@@H1][Branch3][Ring1][Ring2][N][C@H1][Branch1][C][O][C][O][C@@H1][O][C@@H1][Branch3][Ring1][Ring1][=Branch1][C@@H1][Branch1][Ring1][C][O][O][C@@H1][O][C@@H1][Branch2][P][P][C@H1][Branch1][C][O][C][O][C@@H1][O][C@@H1][Branch2][S][N][C@@H1][Branch1][Ring1][C][O][O][C@@H1][O][C@@H1][Branch2][#C][#Branch1][C@H1][Branch1][C][O][C][O][C@@H1][O][C@@H1][Branch2][=C][C][C@@H1][Branch1][Ring1][C][O][O][C@@H1][O][C@@H1][Branch2][N][=N][C@H1][Branch1][C][O][C][O][C@@H1][O][C@@H1][Branch2][O][Branch2][C@@H1][Branch1][Ring1][C][O][O][C@@H1][O][C@@H1][Branch2][#Branch2][Ring1][C@H1][Branch1][C][O][C][O][C@@H1][O][C@@H1][Branch2][Branch2][=C][C@@H1][Branch1][Ring1][C][O][O][C@@H1][O][C@@H1][Branch2][#Branch1][=Branch2][C@H1][Branch1][C][O][C][O][C@@H1][O][C@@H1][Branch2][=Branch1][Ring2][C@@H1][Branch1][Ring1][C][O][O][C@@H1][O][C@@H1][Branch2][Ring2][#C][C@H1][Branch1][C][O][C][O][C@@H1][O][C@@H1][Branch2][Ring1][#Branch2][C@@H1][Branch1][Ring1][C][O][O][C@@H1][O][C@@H1][Branch1][#Branch1][C@H1][Branch1][C][O][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][S][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][O][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][=Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][P][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][N][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch1][#Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch2][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch2][=N][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch2][Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch2][Ring1][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch2][=C][O][C@H1][Branch1][C][O][C@H1][Ring2][O][=Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][N][Ring2][O][C@H1][Branch1][C][O][C@H1][Ring2][N][#C][O][C@H1][Branch1][C][O][C@H1][Ring2][=N][#Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][=C][Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][=C][S][O][C@H1][Branch1][C][O][C@H1][Ring2][#C][O][O][C@H1][Branch1][C][O][C@H1][Ring2][S][=Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][S][P][O][C@H1][Branch1][C][O][C@H1][Ring2][P][N][O][C@H1][Branch1][C][O][C@H1][Ring3][Ring1][C][#Branch1][O][C@H1][Branch1][C][O][C@H1][Ring3][Ring1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring3][Ring1][Ring1][=N][O][C@H1][Branch1][C][O][C@H1][Ring3][Ring1][Ring2][Branch2][O][C@H1][Branch1][C][O][C@H1][Ring3][Ring1][Branch1][Ring1][O][C@H1][Branch1][C][O][C@H1][Ring3][Ring1][Branch1][=C][O][C@H1][Branch1][C][O][C@H1][Ring3][Ring1][=Branch1][=Branch2][O][C@@H1][Branch1][C][O][C@H1][Ring3][Ring1][#Branch1][Ring1][O][C@H1][Ring3][Ring1][#Branch1][=C][N][=C][Branch1][C][C][O-1]
InChI: InChI=1S/C244H407NO166P2/c1-74(2)23-14-24-75(3)25-15-26-76(4)27-16-28-77(5)29-17-30-78(6)31-18-32-79(7)33-19-34-80(8)35-20-36-81(9)37-21-38-82(10)39-22-40-83(11)41-42-360-412(342,343)411-413(344,345)410-213-117(245-85(13)263)212(118(279)101(44-247)362-213)409-228-164(325)119(280)181(84(12)361-228)378-244-180(341)149(310)211(408-244)116(59-262)377-243-179(340)134(295)196(393-243)100(278)73-359-227-163(324)148(309)210(407-227)115(58-261)376-242-178(339)133(294)195(392-242)99(277)72-358-226-162(323)147(308)209(406-226)114(57-260)375-241-177(338)132(293)194(391-241)98(276)71-357-225-161(322)146(307)208(405-225)113(56-259)374-240-176(337)131(292)193(390-240)97(275)70-356-224-160(321)145(306)207(404-224)112(55-258)373-239-175(336)130(291)192(389-239)96(274)69-355-223-159(320)144(305)206(403-223)111(54-257)372-238-174(335)129(290)191(388-238)95(273)68-354-222-158(319)143(304)205(402-222)110(53-256)371-237-173(334)128(289)190(387-237)94(272)67-353-221-157(318)142(303)204(401-221)109(52-255)370-236-172(333)127(288)189(386-236)93(271)66-352-220-156(317)141(302)203(400-220)108(51-254)369-235-171(332)126(287)188(385-235)92(270)65-351-219-155(316)140(301)202(399-219)107(50-253)368-234-170(331)125(286)187(384-234)91(269)64-350-218-154(315)139(300)201(398-218)106(49-252)367-233-169(330)124(285)186(383-233)90(268)63-349-217-153(314)138(299)200(397-217)105(48-251)366-232-168(329)123(284)185(382-232)89(267)62-348-216-152(313)137(298)199(396-216)104(47-250)365-231-167(328)122(283)184(381-231)88(266)61-347-215-151(312)136(297)198(395-215)103(46-249)364-230-166(327)121(282)183(380-230)87(265)60-346-214-150(311)135(296)197(394-214)102(45-248)363-229-165(326)120(281)182(379-229)86(264)43-246/h23,25,27,29,31,33,35,37,39,41,84,86-244,246-262,264-341H,14-22,24,26,28,30,32,34,36,38,40,42-73H2,1-13H3,(H,245,263)(H,342,343)(H,344,345)/p-2/b75-25+,76-27-,77-29-,78-31-,79-33-,80-35-,81-37-,82-39-,83-41-/t84-,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+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212+,213+,214+,215+,216+,217+,218+,219+,220+,221+,222+,223+,224+,225+,226+,227+,228-,229+,230+,231+,232+,233+,234+,235+,236+,237+,238+,239+,240+,241+,242+,243+,244+/m0/s1
Topological polar surface area: 2640.0
XLogP: -43.4