tris(carbon dioxide);(2S)-3-cyclohexyl-2-[(2R,3R,4R,5R,6R)-3-[[3-[[2-[4-[[2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,6-dioxo-3H-pyridine-4-carbonyl)amino]-5-[2-[[2-[3-oxo-3-[(8-sulfonaphthalen-1-yl)amino]propoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxy]-2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]acetyl]amino]benzoyl]amino]-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid;sulfur dioxide;tetrakis(sulfur trioxide)

C257H327N43O126S12 — CID 165100907

About tris(carbon dioxide);(2S)-3-cyclohexyl-2-[(2R,3R,4R,5R,6R)-3-[[3-[[2-[4-[[2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,6-dioxo-3H-pyridine-4-carbonyl)amino]-5-[2-[[2-[3-oxo-3-[(8-sulfonaphthalen-1-yl)amino]propoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxy]-2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]acetyl]amino]benzoyl]amino]-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid;sulfur dioxide;tetrakis(sulfur trioxide)

tris(carbon dioxide);(2S)-3-cyclohexyl-2-[(2R,3R,4R,5R,6R)-3-[[3-[[2-[4-[[2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,6-dioxo-3H-pyridine-4-carbonyl)amino]-5-[2-[[2-[3-oxo-3-[(8-sulfonaphthalen-1-yl)amino]propoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxy]-2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]acetyl]amino]benzoyl]amino]-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid;sulfur dioxide;tetrakis(sulfur trioxide) (PubChem CID 165100907) has the molecular formula C257H327N43O126S12 and a molecular weight of 6419.42 g/mol. Its IUPAC name is tris(carbon dioxide);(2S)-3-cyclohexyl-2-[(2R,3R,4R,5R,6R)-3-[[3-[[2-[4-[[2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,6-dioxo-3H-pyridine-4-carbonyl)amino]-5-[2-[[2-[3-oxo-3-[(8-sulfonaphthalen-1-yl)amino]propoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxy]-2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]acetyl]amino]benzoyl]amino]-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid;sulfur dioxide;tetrakis(sulfur trioxide).

Molecular Properties

• Compound Name: tris(carbon dioxide);(2S)-3-cyclohexyl-2-[(2R,3R,4R,5R,6R)-3-[[3-[[2-[4-[[2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,6-dioxo-3H-pyridine-4-carbonyl)amino]-5-[2-[[2-[3-oxo-3-[(8-sulfonaphthalen-1-yl)amino]propoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxy]-2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]acetyl]amino]benzoyl]amino]-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid;sulfur dioxide;tetrakis(sulfur trioxide)
• PubChem CID: 165100907
• Molecular Formula: C257H327N43O126S12
• Molecular Weight: 6419.42 g/mol
• Exact Mass: 6414.72
• IUPAC Name: tris(carbon dioxide);(2S)-3-cyclohexyl-2-[(2R,3R,4R,5R,6R)-3-[[3-[[2-[4-[[2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,6-dioxo-3H-pyridine-4-carbonyl)amino]-5-[2-[[2-[3-oxo-3-[(8-sulfonaphthalen-1-yl)amino]propoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxy]-2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]acetyl]amino]benzoyl]amino]-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid;sulfur dioxide;tetrakis(sulfur trioxide)
• SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(=O)C3=CC(=O)NC(=O)C3)C[C@@H](C(=O)NCCNC(=O)COCCC(=O)Nc3cccc4cccc(S(=O)(=O)O)c34)C[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCCC3CCCCC3)C2NC(=O)c2cccc(NC(=O)Cn3cc(COCC(COCc4cn(CC(=O)Nc5cccc(C(=O)N[C@H]6[C@H](O[C@@H]7C[C@H](C(=O)NCCNC(=O)COCCOCC(=O)Nc8cc(S(=O)(=O)O)cc9cc(S(=O)(=O)O)ccc89)C[C@H](NC(=O)c8cc(=O)[nH]c(=O)[nH]8)[C@H]7O[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)O[C@H](CO)[C@H](O)[C@@H]6OCCC6CCCCC6)c5)nn4)(COCc4cn(CC(=O)Nc5cccc(C(=O)N[C@H]6[C@H](O[C@@H]7C[C@H](C(=O)NCCNC(=O)COCCOCC(=O)Nc8cc(S(=O)(=O)O)cc9cc(S(=O)(=O)O)ccc89)C[C@H](NC(=O)c8cc(=O)[nH]c(=O)[nH]8)[C@H]7O[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)O[C@H](CO)[C@H](O)[C@@H]6OCCC6CCCCC6)c5)nn4)COCc4cn(CC(=O)Nc5cccc(C(=O)N[C@H]6[C@H](O[C@@H]7C[C@H](C(=O)NCCNC(=O)COCCOCC(=O)Nc8cc(S(=O)(=O)O)cc9cc(S(=O)(=O)O)ccc89)CC(NC(=O)c8cc(=O)[nH]c(=O)[nH]8)[C@H]7O[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)O[C@H](CO)[C@H](O)[C@@H]6O[C@@H](CC6CCCCC6)C(=O)O)c5)nn4)nn3)c2)[C@@H](O)[C@H](O)[C@@H]1O.O=C=O.O=C=O.O=C=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S=O
• InChI: InChI=1S/C254H327N43O106S7.3CO2.4O3S.O2S/c1-125-206(319)214(327)218(331)247(387-125)400-222-167(271-238(343)145-90-185(303)278-186(304)91-145)82-141(230(335)259-57-53-255-194(312)114-373-61-52-184(302)267-163-41-21-31-133-32-22-42-183(201(133)163)410(370,371)372)86-174(222)392-243-202(226(210(323)179(106-298)396-243)384-62-49-129-23-9-5-10-24-129)282-234(339)134-33-17-37-146(72-134)263-190(308)102-294-98-150(286-290-294)110-380-121-254(122-381-111-151-99-295(291-287-151)103-191(309)264-147-38-18-34-135(73-147)235(340)283-203-227(385-63-50-130-25-11-6-12-26-130)211(324)180(107-299)397-244(203)393-175-87-142(83-168(272-239(344)171-95-187(305)279-251(349)275-171)223(175)401-248-219(332)215(328)207(320)126(2)388-248)231(336)260-58-54-256-195(313)115-374-65-68-377-118-198(316)268-164-92-157(407(361,362)363)79-138-76-154(404(352,353)354)43-46-160(138)164,123-382-112-152-100-296(292-288-152)104-192(310)265-148-39-19-35-136(74-148)236(341)284-204-228(386-64-51-131-27-13-7-14-28-131)212(325)181(108-300)398-245(204)394-176-88-143(84-169(273-240(345)172-96-188(306)280-252(350)276-172)224(176)402-249-220(333)216(329)208(321)127(3)389-249)232(337)261-59-55-257-196(314)116-375-66-69-378-119-199(317)269-165-93-158(408(364,365)366)80-139-77-155(405(355,356)357)44-47-161(139)165)124-383-113-153-101-297(293-289-153)105-193(311)266-149-40-20-36-137(75-149)237(342)285-205-229(391-178(242(347)348)71-132-29-15-8-16-30-132)213(326)182(109-301)399-246(205)395-177-89-144(85-170(274-241(346)173-97-189(307)281-253(351)277-173)225(177)403-250-221(334)217(330)209(322)128(4)390-250)233(338)262-60-56-258-197(315)117-376-67-70-379-120-200(318)270-166-94-159(409(367,368)369)81-140-78-156(406(358,359)360)45-48-162(140)166;3*2-1-3;4*1-4(2)3;1-3-2/h17-22,31-48,72-81,90,92-101,125-132,141-144,167-170,174-182,202-229,243-250,298-301,319-334H,5-16,23-30,49-71,82-89,91,102-124H2,1-4H3,(H,255,312)(H,256,313)(H,257,314)(H,258,315)(H,259,335)(H,260,336)(H,261,337)(H,262,338)(H,263,308)(H,264,309)(H,265,310)(H,266,311)(H,267,302)(H,268,316)(H,269,317)(H,270,318)(H,271,343)(H,272,344)(H,273,345)(H,274,346)(H,282,339)(H,283,340)(H,284,341)(H,285,342)(H,347,348)(H,278,303,304)(H,352,353,354)(H,355,356,357)(H,358,359,360)(H,361,362,363)(H,364,365,366)(H,367,368,369)(H,370,371,372)(H2,275,279,305,349)(H2,276,280,306,350)(H2,277,281,307,351);;;;;;;;/t125-,126-,127-,128-,141+,142+,143+,144+,167-,168-,169-,170?,174+,175+,176+,177+,178-,179+,180+,181+,182+,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+,243+,244+,245+,246+,247-,248-,249-,250-;;;;;;;;/m0......../s1
• InChIKey: YHMVZDADQYPEQC-KAFCZPFWSA-N
• XLogP: -16.75
• TPSA: 2514.59 Ų
• H-Bond Donors: 59
• H-Bond Acceptors: 130
• Rotatable Bonds: 134
• Heavy Atoms: 438
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6419.42
LogP ≤ 5	-16.75
H-Bond Donors ≤ 5	59
H-Bond Acceptors ≤ 10	130

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);(2S)-3-cyclohexyl-2-[(2R,3R,4R,5R,6R)-3-[[3-[[2-[4-[[2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,6-dioxo-3H-pyridine-4-carbonyl)amino]-5-[2-[[2-[3-oxo-3-[(8-sulfonaphthalen-1-yl)amino]propoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxy]-2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]acetyl]amino]benzoyl]amino]-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid;sulfur dioxide;tetrakis(sulfur trioxide)?

The IUPAC name of tris(carbon dioxide);(2S)-3-cyclohexyl-2-[(2R,3R,4R,5R,6R)-3-[[3-[[2-[4-[[2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,6-dioxo-3H-pyridine-4-carbonyl)amino]-5-[2-[[2-[3-oxo-3-[(8-sulfonaphthalen-1-yl)amino]propoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxy]-2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]acetyl]amino]benzoyl]amino]-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid;sulfur dioxide;tetrakis(sulfur trioxide) (CID 165100907) is tris(carbon dioxide);(2S)-3-cyclohexyl-2-[(2R,3R,4R,5R,6R)-3-[[3-[[2-[4-[[2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,6-dioxo-3H-pyridine-4-carbonyl)amino]-5-[2-[[2-[3-oxo-3-[(8-sulfonaphthalen-1-yl)amino]propoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxy]-2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]acetyl]amino]benzoyl]amino]-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid;sulfur dioxide;tetrakis(sulfur trioxide).

What is the SMILES notation for tris(carbon dioxide);(2S)-3-cyclohexyl-2-[(2R,3R,4R,5R,6R)-3-[[3-[[2-[4-[[2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,6-dioxo-3H-pyridine-4-carbonyl)amino]-5-[2-[[2-[3-oxo-3-[(8-sulfonaphthalen-1-yl)amino]propoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxy]-2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]acetyl]amino]benzoyl]amino]-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid;sulfur dioxide;tetrakis(sulfur trioxide)?

The canonical SMILES for tris(carbon dioxide);(2S)-3-cyclohexyl-2-[(2R,3R,4R,5R,6R)-3-[[3-[[2-[4-[[2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,6-dioxo-3H-pyridine-4-carbonyl)amino]-5-[2-[[2-[3-oxo-3-[(8-sulfonaphthalen-1-yl)amino]propoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxy]-2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]acetyl]amino]benzoyl]amino]-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid;sulfur dioxide;tetrakis(sulfur trioxide) is C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(=O)C3=CC(=O)NC(=O)C3)C[C@@H](C(=O)NCCNC(=O)COCCC(=O)Nc3cccc4cccc(S(=O)(=O)O)c34)C[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCCC3CCCCC3)C2NC(=O)c2cccc(NC(=O)Cn3cc(COCC(COCc4cn(CC(=O)Nc5cccc(C(=O)N[C@H]6[C@H](O[C@@H]7C[C@H](C(=O)NCCNC(=O)COCCOCC(=O)Nc8cc(S(=O)(=O)O)cc9cc(S(=O)(=O)O)ccc89)C[C@H](NC(=O)c8cc(=O)[nH]c(=O)[nH]8)[C@H]7O[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)O[C@H](CO)[C@H](O)[C@@H]6OCCC6CCCCC6)c5)nn4)(COCc4cn(CC(=O)Nc5cccc(C(=O)N[C@H]6[C@H](O[C@@H]7C[C@H](C(=O)NCCNC(=O)COCCOCC(=O)Nc8cc(S(=O)(=O)O)cc9cc(S(=O)(=O)O)ccc89)C[C@H](NC(=O)c8cc(=O)[nH]c(=O)[nH]8)[C@H]7O[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)O[C@H](CO)[C@H](O)[C@@H]6OCCC6CCCCC6)c5)nn4)COCc4cn(CC(=O)Nc5cccc(C(=O)N[C@H]6[C@H](O[C@@H]7C[C@H](C(=O)NCCNC(=O)COCCOCC(=O)Nc8cc(S(=O)(=O)O)cc9cc(S(=O)(=O)O)ccc89)CC(NC(=O)c8cc(=O)[nH]c(=O)[nH]8)[C@H]7O[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)O[C@H](CO)[C@H](O)[C@@H]6O[C@@H](CC6CCCCC6)C(=O)O)c5)nn4)nn3)c2)[C@@H](O)[C@H](O)[C@@H]1O.O=C=O.O=C=O.O=C=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S=O.

What is the InChIKey of tris(carbon dioxide);(2S)-3-cyclohexyl-2-[(2R,3R,4R,5R,6R)-3-[[3-[[2-[4-[[2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,6-dioxo-3H-pyridine-4-carbonyl)amino]-5-[2-[[2-[3-oxo-3-[(8-sulfonaphthalen-1-yl)amino]propoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxy]-2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]acetyl]amino]benzoyl]amino]-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid;sulfur dioxide;tetrakis(sulfur trioxide)?

The InChIKey is YHMVZDADQYPEQC-KAFCZPFWSA-N. The full InChI is InChI=1S/C254H327N43O106S7.3CO2.4O3S.O2S/c1-125-206(319)214(327)218(331)247(387-125)400-222-167(271-238(343)145-90-185(303)278-186(304)91-145)82-141(230(335)259-57-53-255-194(312)114-373-61-52-184(302)267-163-41-21-31-133-32-22-42-183(201(133)163)410(370,371)372)86-174(222)392-243-202(226(210(323)179(106-298)396-243)384-62-49-129-23-9-5-10-24-129)282-234(339)134-33-17-37-146(72-134)263-190(308)102-294-98-150(286-290-294)110-380-121-254(122-381-111-151-99-295(291-287-151)103-191(309)264-147-38-18-34-135(73-147)235(340)283-203-227(385-63-50-130-25-11-6-12-26-130)211(324)180(107-299)397-244(203)393-175-87-142(83-168(272-239(344)171-95-187(305)279-251(349)275-171)223(175)401-248-219(332)215(328)207(320)126(2)388-248)231(336)260-58-54-256-195(313)115-374-65-68-377-118-198(316)268-164-92-157(407(361,362)363)79-138-76-154(404(352,353)354)43-46-160(138)164,123-382-112-152-100-296(292-288-152)104-192(310)265-148-39-19-35-136(74-148)236(341)284-204-228(386-64-51-131-27-13-7-14-28-131)212(325)181(108-300)398-245(204)394-176-88-143(84-169(273-240(345)172-96-188(306)280-252(350)276-172)224(176)402-249-220(333)216(329)208(321)127(3)389-249)232(337)261-59-55-257-196(314)116-375-66-69-378-119-199(317)269-165-93-158(408(364,365)366)80-139-77-155(405(355,356)357)44-47-161(139)165)124-383-113-153-101-297(293-289-153)105-193(311)266-149-40-20-36-137(75-149)237(342)285-205-229(391-178(242(347)348)71-132-29-15-8-16-30-132)213(326)182(109-301)399-246(205)395-177-89-144(85-170(274-241(346)173-97-189(307)281-253(351)277-173)225(177)403-250-221(334)217(330)209(322)128(4)390-250)233(338)262-60-56-258-197(315)117-376-67-70-379-120-200(318)270-166-94-159(409(367,368)369)81-140-78-156(406(358,359)360)45-48-162(140)166;3*2-1-3;4*1-4(2)3;1-3-2/h17-22,31-48,72-81,90,92-101,125-132,141-144,167-170,174-182,202-229,243-250,298-301,319-334H,5-16,23-30,49-71,82-89,91,102-124H2,1-4H3,(H,255,312)(H,256,313)(H,257,314)(H,258,315)(H,259,335)(H,260,336)(H,261,337)(H,262,338)(H,263,308)(H,264,309)(H,265,310)(H,266,311)(H,267,302)(H,268,316)(H,269,317)(H,270,318)(H,271,343)(H,272,344)(H,273,345)(H,274,346)(H,282,339)(H,283,340)(H,284,341)(H,285,342)(H,347,348)(H,278,303,304)(H,352,353,354)(H,355,356,357)(H,358,359,360)(H,361,362,363)(H,364,365,366)(H,367,368,369)(H,370,371,372)(H2,275,279,305,349)(H2,276,280,306,350)(H2,277,281,307,351);;;;;;;;/t125-,126-,127-,128-,141+,142+,143+,144+,167-,168-,169-,170?,174+,175+,176+,177+,178-,179+,180+,181+,182+,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+,243+,244+,245+,246+,247-,248-,249-,250-;;;;;;;;/m0......../s1.

What are the key properties of tris(carbon dioxide);(2S)-3-cyclohexyl-2-[(2R,3R,4R,5R,6R)-3-[[3-[[2-[4-[[2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,6-dioxo-3H-pyridine-4-carbonyl)amino]-5-[2-[[2-[3-oxo-3-[(8-sulfonaphthalen-1-yl)amino]propoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxy]-2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]acetyl]amino]benzoyl]amino]-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid;sulfur dioxide;tetrakis(sulfur trioxide)?

tris(carbon dioxide);(2S)-3-cyclohexyl-2-[(2R,3R,4R,5R,6R)-3-[[3-[[2-[4-[[2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,6-dioxo-3H-pyridine-4-carbonyl)amino]-5-[2-[[2-[3-oxo-3-[(8-sulfonaphthalen-1-yl)amino]propoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxy]-2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]acetyl]amino]benzoyl]amino]-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid;sulfur dioxide;tetrakis(sulfur trioxide) has a molecular weight of 6419.42 g/mol, XLogP of -16.75, 134 rotatable bonds, 59 hydrogen bond donors, and 130 hydrogen bond acceptors.

Where does this data come from?

All data for tris(carbon dioxide);(2S)-3-cyclohexyl-2-[(2R,3R,4R,5R,6R)-3-[[3-[[2-[4-[[2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,6-dioxo-3H-pyridine-4-carbonyl)amino]-5-[2-[[2-[3-oxo-3-[(8-sulfonaphthalen-1-yl)amino]propoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxy]-2-[[1-[2-[3-[[(2R,3R,4R,5R,6R)-4-(2-cyclohexylethoxy)-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]anilino]-2-oxoethyl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]acetyl]amino]benzoyl]amino]-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-[(3,6-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid;sulfur dioxide;tetrakis(sulfur trioxide) is sourced from PubChem (CID 165100907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).