octapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate

C193H266K8N59Na11O107S19 — CID 159426480

IUPACoctapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SMILESCCN(CC(O)C(O)C(O)C(O)CO)c1nc(NCCS(=O)(=O)[O-])nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCCS(=O)(=O)[O-])nc(N(CC)CC(O)C(O)C(O)C(O)CO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.CCc1nc(NCC(O)CO)nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCC(O)CO)nc(N(C)CCS(=O)(=O)[O-])n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.CN(CC(O)C(O)C(O)C(O)CO)c1nc(NCCS(=O)(=O)[O-])nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCCS(=O)(=O)[O-])nc(N(C)CC(O)C(O)C(O)C(O)CO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.O=S(=O)([O-])CCNc1nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCCS(=O)(=O)[O-])nc(N(CCO)CC(O)C(O)C(O)C(O)CO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)nc(N(CCO)CC(O)C(O)C(O)C(O)CO)n1.O=S(=O)([O-])CCNc1nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCCS(=O)(=O)[O-])nc(N(CCOCCO)CC(O)C(O)C(O)C(O)CO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)nc(N(CCOCCO)CC(O)C(O)C(O)C(O)CO)n1.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C44H68N12O26S4.C40H60N12O24S4.C40H60N12O22S4.C38H56N12O22S4.C31H41N11O13S3.8K.11Na/c57-11-15-81-13-9-55(21-29(61)35(65)37(67)31(63)23-59)43-51-39(45-7-17-83(69,70)71)49-41(53-43)47-27-5-3-25(33(19-27)85(75,76)77)1-2-26-4-6-28(20-34(26)86(78,79)80)48-42-50-40(46-8-18-84(72,73)74)52-44(54-42)56(10-14-82-16-12-58)22-30(62)36(66)38(68)32(64)24-60;53-11-9-51(17-25(57)31(61)33(63)27(59)19-55)39-47-35(41-7-13-77(65,66)67)45-37(49-39)43-23-5-3-21(29(15-23)79(71,72)73)1-2-22-4-6-24(16-30(22)80(74,75)76)44-38-46-36(42-8-14-78(68,69)70)48-40(50-38)52(10-12-54)18-26(58)32(62)34(64)28(60)20-56;1-3-51(17-25(55)31(59)33(61)27(57)19-53)39-47-35(41-11-13-75(63,64)65)45-37(49-39)43-23-9-7-21(29(15-23)77(69,70)71)5-6-22-8-10-24(16-30(22)78(72,73)74)44-38-46-36(42-12-14-76(66,67)68)48-40(50-38)52(4-2)18-26(56)32(60)34(62)28(58)20-54;1-49(15-23(53)29(57)31(59)25(55)17-51)37-45-33(39-9-11-73(61,62)63)43-35(47-37)41-21-7-5-19(27(13-21)75(67,68)69)3-4-20-6-8-22(14-28(20)76(70,71)72)42-36-44-34(40-10-12-74(64,65)66)46-38(48-36)50(2)16-24(54)30(58)32(60)26(56)18-52;1-3-26-36-27(32-14-22(45)16-43)38-29(37-26)34-20-8-6-18(24(12-20)57(50,51)52)4-5-19-7-9-21(13-25(19)58(53,54)55)35-30-39-28(33-15-23(46)17-44)40-31(41-30)42(2)10-11-56(47,48)49;;;;;;;;;;;;;;;;;;;/h1-6,19-20,29-32,35-38,57-68H,7-18,21-24H2,(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,45,47,49,51,53)(H2,46,48,50,52,54);1-6,15-16,25-28,31-34,53-64H,7-14,17-20H2,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,41,43,45,47,49)(H2,42,44,46,48,50);5-10,15-16,25-28,31-34,53-62H,3-4,11-14,17-20H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H2,41,43,45,47,49)(H2,42,44,46,48,50);3-8,13-14,23-26,29-32,51-60H,9-12,15-18H2,1-2H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,39,41,43,45,47)(H2,40,42,44,46,48);4-9,12-13,22-23,43-46H,3,10-11,14-17H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,32,34,36,37,38)(H2,33,35,39,40,41);;;;;;;;;;;;;;;;;;;/q;;;;;19*+1/p-19
InChIKeyLQKODWQMQZKGRA-UHFFFAOYSA-A
MW6299.50 g/mol
LogP-87.34
Rot. Bonds157

About octapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate

octapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate (PubChem CID 159426480) has the molecular formula C193H266K8N59Na11O107S19 and a molecular weight of 6299.50 g/mol. Its IUPAC name is octapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.

Molecular Properties

Compound Nameoctapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
PubChem CID159426480
Molecular FormulaC193H266K8N59Na11O107S19
Molecular Weight6299.50 g/mol
Exact Mass6293.79
IUPAC Nameoctapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SMILESCCN(CC(O)C(O)C(O)C(O)CO)c1nc(NCCS(=O)(=O)[O-])nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCCS(=O)(=O)[O-])nc(N(CC)CC(O)C(O)C(O)C(O)CO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.CCc1nc(NCC(O)CO)nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCC(O)CO)nc(N(C)CCS(=O)(=O)[O-])n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.CN(CC(O)C(O)C(O)C(O)CO)c1nc(NCCS(=O)(=O)[O-])nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCCS(=O)(=O)[O-])nc(N(C)CC(O)C(O)C(O)C(O)CO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.O=S(=O)([O-])CCNc1nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCCS(=O)(=O)[O-])nc(N(CCO)CC(O)C(O)C(O)C(O)CO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)nc(N(CCO)CC(O)C(O)C(O)C(O)CO)n1.O=S(=O)([O-])CCNc1nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCCS(=O)(=O)[O-])nc(N(CCOCCO)CC(O)C(O)C(O)C(O)CO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)nc(N(CCOCCO)CC(O)C(O)C(O)C(O)CO)n1.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C44H68N12O26S4.C40H60N12O24S4.C40H60N12O22S4.C38H56N12O22S4.C31H41N11O13S3.8K.11Na/c57-11-15-81-13-9-55(21-29(61)35(65)37(67)31(63)23-59)43-51-39(45-7-17-83(69,70)71)49-41(53-43)47-27-5-3-25(33(19-27)85(75,76)77)1-2-26-4-6-28(20-34(26)86(78,79)80)48-42-50-40(46-8-18-84(72,73)74)52-44(54-42)56(10-14-82-16-12-58)22-30(62)36(66)38(68)32(64)24-60;53-11-9-51(17-25(57)31(61)33(63)27(59)19-55)39-47-35(41-7-13-77(65,66)67)45-37(49-39)43-23-5-3-21(29(15-23)79(71,72)73)1-2-22-4-6-24(16-30(22)80(74,75)76)44-38-46-36(42-8-14-78(68,69)70)48-40(50-38)52(10-12-54)18-26(58)32(62)34(64)28(60)20-56;1-3-51(17-25(55)31(59)33(61)27(57)19-53)39-47-35(41-11-13-75(63,64)65)45-37(49-39)43-23-9-7-21(29(15-23)77(69,70)71)5-6-22-8-10-24(16-30(22)78(72,73)74)44-38-46-36(42-12-14-76(66,67)68)48-40(50-38)52(4-2)18-26(56)32(60)34(62)28(58)20-54;1-49(15-23(53)29(57)31(59)25(55)17-51)37-45-33(39-9-11-73(61,62)63)43-35(47-37)41-21-7-5-19(27(13-21)75(67,68)69)3-4-20-6-8-22(14-28(20)76(70,71)72)42-36-44-34(40-10-12-74(64,65)66)46-38(48-36)50(2)16-24(54)30(58)32(60)26(56)18-52;1-3-26-36-27(32-14-22(45)16-43)38-29(37-26)34-20-8-6-18(24(12-20)57(50,51)52)4-5-19-7-9-21(13-25(19)58(53,54)55)35-30-39-28(33-15-23(46)17-44)40-31(41-30)42(2)10-11-56(47,48)49;;;;;;;;;;;;;;;;;;;/h1-6,19-20,29-32,35-38,57-68H,7-18,21-24H2,(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,45,47,49,51,53)(H2,46,48,50,52,54);1-6,15-16,25-28,31-34,53-64H,7-14,17-20H2,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,41,43,45,47,49)(H2,42,44,46,48,50);5-10,15-16,25-28,31-34,53-62H,3-4,11-14,17-20H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H2,41,43,45,47,49)(H2,42,44,46,48,50);3-8,13-14,23-26,29-32,51-60H,9-12,15-18H2,1-2H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,39,41,43,45,47)(H2,40,42,44,46,48);4-9,12-13,22-23,43-46H,3,10-11,14-17H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,32,34,36,37,38)(H2,33,35,39,40,41);;;;;;;;;;;;;;;;;;;/q;;;;;19*+1/p-19
InChIKeyLQKODWQMQZKGRA-UHFFFAOYSA-A
XLogP-87.34
TPSA2732.76 Ų
H-Bond Donors68
H-Bond Acceptors166
Rotatable Bonds157
Heavy Atoms397
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006299.50
LogP ≤ 5-87.34
H-Bond Donors ≤ 568
H-Bond Acceptors ≤ 10166

Analyze octapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate with MolForge

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Related Compounds

tetrapotassium;icosasodium;5-[[4-(2,3-dihydroxypropylamino)-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;2-[2-[4-[[4-[2,3-dihydroxypropyl(methyl)amino]-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-5-[[4-[2-(2-hydroxyethoxy)ethylamino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonate;bis(2-[2-[4-[[4-[hydroxymethyl(sulfinatomethyl)amino]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-5-[[4-(2-hydroxypropylamino)-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonate);5-[[4-(2-hydroxypropylamino)-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxypropylamino)-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxypropyl(methyl)amino]-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxypropyl(methyl)amino]-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 161193673
tetrasodium;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 24941778
5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 59111803
5-[[4-(2,3-dihydroxypropylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2,3-dihydroxypropylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 21365574
tetrasodium;5-[[4-[N-(3,4-dihydroxybutyl)anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[N-(3,4-dihydroxybutyl)anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 21365590
tetrapotassium;5-[[4-[ethyl-(3-hydroxy-2-methylpropyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl-(3-hydroxy-2-methylpropyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfinatooxyphenyl]ethenyl]benzenesulfonate
CID 59086948
disodium;5-[[4-(2,3-dihydroxypropylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-sulfinatooxyphenyl]ethenyl]benzenesulfonate
CID 59100629
disodium;5-[[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 6441118
hexasodium;5-[[4,6-bis(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4,6-bis(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 165359863
tetrasodium;5-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 6850780
diazanium;5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 74934187
dipotassium;5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 6441796

Frequently Asked Questions

What is the IUPAC name of octapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate?
The IUPAC name of octapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate (CID 159426480) is octapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
What is the SMILES notation for octapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate?
The canonical SMILES for octapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate is CCN(CC(O)C(O)C(O)C(O)CO)c1nc(NCCS(=O)(=O)[O-])nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCCS(=O)(=O)[O-])nc(N(CC)CC(O)C(O)C(O)C(O)CO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.CCc1nc(NCC(O)CO)nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCC(O)CO)nc(N(C)CCS(=O)(=O)[O-])n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.CN(CC(O)C(O)C(O)C(O)CO)c1nc(NCCS(=O)(=O)[O-])nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCCS(=O)(=O)[O-])nc(N(C)CC(O)C(O)C(O)C(O)CO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.O=S(=O)([O-])CCNc1nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCCS(=O)(=O)[O-])nc(N(CCO)CC(O)C(O)C(O)C(O)CO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)nc(N(CCO)CC(O)C(O)C(O)C(O)CO)n1.O=S(=O)([O-])CCNc1nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCCS(=O)(=O)[O-])nc(N(CCOCCO)CC(O)C(O)C(O)C(O)CO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)nc(N(CCOCCO)CC(O)C(O)C(O)C(O)CO)n1.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of octapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate?
The InChIKey is LQKODWQMQZKGRA-UHFFFAOYSA-A. The full InChI is InChI=1S/C44H68N12O26S4.C40H60N12O24S4.C40H60N12O22S4.C38H56N12O22S4.C31H41N11O13S3.8K.11Na/c57-11-15-81-13-9-55(21-29(61)35(65)37(67)31(63)23-59)43-51-39(45-7-17-83(69,70)71)49-41(53-43)47-27-5-3-25(33(19-27)85(75,76)77)1-2-26-4-6-28(20-34(26)86(78,79)80)48-42-50-40(46-8-18-84(72,73)74)52-44(54-42)56(10-14-82-16-12-58)22-30(62)36(66)38(68)32(64)24-60;53-11-9-51(17-25(57)31(61)33(63)27(59)19-55)39-47-35(41-7-13-77(65,66)67)45-37(49-39)43-23-5-3-21(29(15-23)79(71,72)73)1-2-22-4-6-24(16-30(22)80(74,75)76)44-38-46-36(42-8-14-78(68,69)70)48-40(50-38)52(10-12-54)18-26(58)32(62)34(64)28(60)20-56;1-3-51(17-25(55)31(59)33(61)27(57)19-53)39-47-35(41-11-13-75(63,64)65)45-37(49-39)43-23-9-7-21(29(15-23)77(69,70)71)5-6-22-8-10-24(16-30(22)78(72,73)74)44-38-46-36(42-12-14-76(66,67)68)48-40(50-38)52(4-2)18-26(56)32(60)34(62)28(58)20-54;1-49(15-23(53)29(57)31(59)25(55)17-51)37-45-33(39-9-11-73(61,62)63)43-35(47-37)41-21-7-5-19(27(13-21)75(67,68)69)3-4-20-6-8-22(14-28(20)76(70,71)72)42-36-44-34(40-10-12-74(64,65)66)46-38(48-36)50(2)16-24(54)30(58)32(60)26(56)18-52;1-3-26-36-27(32-14-22(45)16-43)38-29(37-26)34-20-8-6-18(24(12-20)57(50,51)52)4-5-19-7-9-21(13-25(19)58(53,54)55)35-30-39-28(33-15-23(46)17-44)40-31(41-30)42(2)10-11-56(47,48)49;;;;;;;;;;;;;;;;;;;/h1-6,19-20,29-32,35-38,57-68H,7-18,21-24H2,(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,45,47,49,51,53)(H2,46,48,50,52,54);1-6,15-16,25-28,31-34,53-64H,7-14,17-20H2,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,41,43,45,47,49)(H2,42,44,46,48,50);5-10,15-16,25-28,31-34,53-62H,3-4,11-14,17-20H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H2,41,43,45,47,49)(H2,42,44,46,48,50);3-8,13-14,23-26,29-32,51-60H,9-12,15-18H2,1-2H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,39,41,43,45,47)(H2,40,42,44,46,48);4-9,12-13,22-23,43-46H,3,10-11,14-17H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,32,34,36,37,38)(H2,33,35,39,40,41);;;;;;;;;;;;;;;;;;;/q;;;;;19*+1/p-19.
What are the key properties of octapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate?
octapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate has a molecular weight of 6299.50 g/mol, XLogP of -87.34, 157 rotatable bonds, 68 hydrogen bond donors, and 166 hydrogen bond acceptors.
Where does this data come from?
All data for octapotassium;undecasodium;5-[[4-(2,3-dihydroxypropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2,3-dihydroxypropylamino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[ethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-(2-hydroxyethoxy)ethyl-(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-hydroxyethyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate;5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate is sourced from PubChem (CID 159426480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).