hexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate

C186H298N12Na26O154S18-4 — CID 161068725

IUPAChexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate
SMILESCCCCCCCC(=O)CCCCCCCOC1OC(C(=O)[O-])C(OC2OC(COS(=O)(=O)[O-])C(OC3OC(C(=O)[O-])C(OC4OC(CC)C(O)C(O)C4NC(C)=O)C(O)C3OS(=O)(=O)[O-])C(O)C2NC(C)=O)C(O)C1OS(=O)(=O)[O-].CCCCCCCC(=O)CCCCCCCOC1OC(C(=O)[O-])C(OC2OC(COS(=O)(=O)[O-])C(OC3OC(C(=O)[O-])C(OC4OC(CC)C(O)C(O)C4NS(=O)(=O)[O-])C(O)C3OS(=O)(=O)[O-])C(O)C2NS(=O)(=O)[O-])C(O)C1OS(=O)(=O)[O-].O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.[CH2-]C1OC(OC2C(C(=O)[O-])OC(OC3C([CH2-])OC(OC4C(C(=O)[O-])OC(OCCCCCCNC(=O)CCCCCCCNC(=O)COCCOCCOCC(=O)CCC)C(OS(=O)(=O)[O-])C4O)C(NC(C)=O)C3O)C(OS(=O)(=O)[O-])C2O)C(NC(C)=O)C(O)C1O.[CH2-]C1OC(OC2C(C(=O)[O-])OC(OC3C([CH2-])OC(OC4C(C(=O)[O-])OC(OCCCCCCNC(=O)CCCCCCCNC(=O)COCCOCCOCC(=O)CCC)C(OS(=O)(=O)[O-])C4O)C(NS(=O)(=O)[O-])C3O)C(OS(=O)(=O)[O-])C2O)C(NS(=O)(=O)[O-])C(O)C1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C53H88N4O33S2.C49H84N4O37S4.C44H74N2O32S3.C40H70N2O36S5.26Na.4H2O4S/c1-6-16-31(60)25-79-23-21-78-22-24-80-26-33(62)55-19-13-9-7-8-12-17-32(61)54-18-14-10-11-15-20-81-52-44(89-91(72,73)74)39(66)42(46(87-52)48(68)69)86-51-35(57-30(5)59)38(65)41(28(3)83-51)84-53-45(90-92(75,76)77)40(67)43(47(88-53)49(70)71)85-50-34(56-29(4)58)37(64)36(63)27(2)82-50;1-4-14-27(54)23-79-21-19-78-20-22-80-24-29(56)51-17-11-7-5-6-10-15-28(55)50-16-12-8-9-13-18-81-48-40(89-93(72,73)74)35(60)38(42(87-48)44(62)63)86-47-31(53-92(69,70)71)34(59)37(26(3)83-47)84-49-41(90-94(75,76)77)36(61)39(43(88-49)45(64)65)85-46-30(52-91(66,67)68)33(58)32(57)25(2)82-46;1-5-7-8-10-13-16-22(49)17-14-11-9-12-15-18-68-43-35(77-80(62,63)64)30(53)33(37(75-43)39(55)56)74-42-26(46-21(4)48)29(52)32(24(71-42)19-69-79(59,60)61)72-44-36(78-81(65,66)67)31(54)34(38(76-44)40(57)58)73-41-25(45-20(3)47)28(51)27(50)23(6-2)70-41;1-3-5-6-8-11-14-18(43)15-12-9-7-10-13-16-68-39-31(77-82(62,63)64)26(47)29(33(75-39)35(49)50)74-38-22(42-80(56,57)58)25(46)28(20(71-38)17-69-81(59,60)61)72-40-32(78-83(65,66)67)27(48)30(34(76-40)36(51)52)73-37-21(41-79(53,54)55)24(45)23(44)19(4-2)70-37;;;;;;;;;;;;;;;;;;;;;;;;;;;4*1-5(2,3)4/h27-28,34-47,50-53,63-67H,2-3,6-26H2,1,4-5H3,(H,54,61)(H,55,62)(H,56,58)(H,57,59)(H,68,69)(H,70,71)(H,72,73,74)(H,75,76,77);25-26,30-43,46-49,52-53,57-61H,2-24H2,1H3,(H,50,55)(H,51,56)(H,62,63)(H,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77);23-38,41-44,50-54H,5-19H2,1-4H3,(H,45,47)(H,46,48)(H,55,56)(H,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);19-34,37-42,44-48H,3-17H2,1-2H3,(H,49,50)(H,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;;;;;;;;;;;;;;;;;;;;;;;;4*(H2,1,2,3,4)/q2*-2;;;26*+1;;;;/p-26
InChIKeyXPWDLWXTZZLVBJ-UHFFFAOYSA-A
MW6341.31 g/mol
LogP-115.22
Rot. Bonds154

About hexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate

hexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate (PubChem CID 161068725) has the molecular formula C186H298N12Na26O154S18-4 and a molecular weight of 6341.31 g/mol. Its IUPAC name is hexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate.

Molecular Properties

Compound Namehexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate
PubChem CID161068725
Molecular FormulaC186H298N12Na26O154S18-4
Molecular Weight6341.31 g/mol
Exact Mass6336.82
IUPAC Namehexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate
SMILESCCCCCCCC(=O)CCCCCCCOC1OC(C(=O)[O-])C(OC2OC(COS(=O)(=O)[O-])C(OC3OC(C(=O)[O-])C(OC4OC(CC)C(O)C(O)C4NC(C)=O)C(O)C3OS(=O)(=O)[O-])C(O)C2NC(C)=O)C(O)C1OS(=O)(=O)[O-].CCCCCCCC(=O)CCCCCCCOC1OC(C(=O)[O-])C(OC2OC(COS(=O)(=O)[O-])C(OC3OC(C(=O)[O-])C(OC4OC(CC)C(O)C(O)C4NS(=O)(=O)[O-])C(O)C3OS(=O)(=O)[O-])C(O)C2NS(=O)(=O)[O-])C(O)C1OS(=O)(=O)[O-].O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.[CH2-]C1OC(OC2C(C(=O)[O-])OC(OC3C([CH2-])OC(OC4C(C(=O)[O-])OC(OCCCCCCNC(=O)CCCCCCCNC(=O)COCCOCCOCC(=O)CCC)C(OS(=O)(=O)[O-])C4O)C(NC(C)=O)C3O)C(OS(=O)(=O)[O-])C2O)C(NC(C)=O)C(O)C1O.[CH2-]C1OC(OC2C(C(=O)[O-])OC(OC3C([CH2-])OC(OC4C(C(=O)[O-])OC(OCCCCCCNC(=O)CCCCCCCNC(=O)COCCOCCOCC(=O)CCC)C(OS(=O)(=O)[O-])C4O)C(NS(=O)(=O)[O-])C3O)C(OS(=O)(=O)[O-])C2O)C(NS(=O)(=O)[O-])C(O)C1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C53H88N4O33S2.C49H84N4O37S4.C44H74N2O32S3.C40H70N2O36S5.26Na.4H2O4S/c1-6-16-31(60)25-79-23-21-78-22-24-80-26-33(62)55-19-13-9-7-8-12-17-32(61)54-18-14-10-11-15-20-81-52-44(89-91(72,73)74)39(66)42(46(87-52)48(68)69)86-51-35(57-30(5)59)38(65)41(28(3)83-51)84-53-45(90-92(75,76)77)40(67)43(47(88-53)49(70)71)85-50-34(56-29(4)58)37(64)36(63)27(2)82-50;1-4-14-27(54)23-79-21-19-78-20-22-80-24-29(56)51-17-11-7-5-6-10-15-28(55)50-16-12-8-9-13-18-81-48-40(89-93(72,73)74)35(60)38(42(87-48)44(62)63)86-47-31(53-92(69,70)71)34(59)37(26(3)83-47)84-49-41(90-94(75,76)77)36(61)39(43(88-49)45(64)65)85-46-30(52-91(66,67)68)33(58)32(57)25(2)82-46;1-5-7-8-10-13-16-22(49)17-14-11-9-12-15-18-68-43-35(77-80(62,63)64)30(53)33(37(75-43)39(55)56)74-42-26(46-21(4)48)29(52)32(24(71-42)19-69-79(59,60)61)72-44-36(78-81(65,66)67)31(54)34(38(76-44)40(57)58)73-41-25(45-20(3)47)28(51)27(50)23(6-2)70-41;1-3-5-6-8-11-14-18(43)15-12-9-7-10-13-16-68-39-31(77-82(62,63)64)26(47)29(33(75-39)35(49)50)74-38-22(42-80(56,57)58)25(46)28(20(71-38)17-69-81(59,60)61)72-40-32(78-83(65,66)67)27(48)30(34(76-40)36(51)52)73-37-21(41-79(53,54)55)24(45)23(44)19(4-2)70-37;;;;;;;;;;;;;;;;;;;;;;;;;;;4*1-5(2,3)4/h27-28,34-47,50-53,63-67H,2-3,6-26H2,1,4-5H3,(H,54,61)(H,55,62)(H,56,58)(H,57,59)(H,68,69)(H,70,71)(H,72,73,74)(H,75,76,77);25-26,30-43,46-49,52-53,57-61H,2-24H2,1H3,(H,50,55)(H,51,56)(H,62,63)(H,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77);23-38,41-44,50-54H,5-19H2,1-4H3,(H,45,47)(H,46,48)(H,55,56)(H,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);19-34,37-42,44-48H,3-17H2,1-2H3,(H,49,50)(H,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;;;;;;;;;;;;;;;;;;;;;;;;4*(H2,1,2,3,4)/q2*-2;;;26*+1;;;;/p-26
InChIKeyXPWDLWXTZZLVBJ-UHFFFAOYSA-A
XLogP-115.22
TPSA2628.40 Ų
H-Bond Donors36
H-Bond Acceptors150
Rotatable Bonds154
Heavy Atoms396
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006341.31
LogP ≤ 5-115.22
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 10150

Analyze hexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate with MolForge

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Related Compounds

decasodium;[5-acetamido-6-[6-[3-[2-[2-[2-[3-[3-[3-[3-[2-[2-[3-[6-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxyhexylamino]-3-oxopropoxy]ethoxy]ethoxy]propylamino]-3-oxopropoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]-3,4-dihydroxyoxan-2-yl]methyl sulfate;3-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-[15-[3-[3-[3-[[15-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-3,4-dihydroxyoxan-2-yl]oxy-8-oxopentadecyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]-8-oxopentadecoxy]-4,5-dihydroxyoxane-2-carboxylate;N-[6-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxyhexyl]-3-[2-[2-[6-[3-[3-[2-[2-[2-[10-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-3-oxodecoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2,2-dimethylpropoxy]-4-oxohexoxy]ethoxy]ethoxy]propanamide;6-[6-[[12-[3-[12-[6-[5-[3-acetamido-4,5-dihydroxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-carboxylato-3,4-dihydroxyoxan-2-yl]oxyhexylamino]-3,12-dioxododecoxy]propoxy]-10-oxododecanoyl]amino]hexoxy]-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4,5-dihydroxyoxane-2-carboxylate;hydrogen sulfate
CID 158103633
tridecasodium;3-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-[15-[3-[2-[[3-[[15-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-3,4-dihydroxyoxan-2-yl]oxy-8-oxopentadecyl]amino]-3-oxopropoxy]methyl]-2-[[12-[6-[5-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-6-carboxylato-3,4-dihydroxyoxan-2-yl]oxyhexylamino]-3,12-dioxododecoxy]methyl]butoxy]propanoylamino]-8-oxopentadecoxy]-4,5-dihydroxyoxane-2-carboxylate;3-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-[15-[3-[2-[[3-[[15-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-8-oxopentadecyl]amino]-3-oxopropoxy]methyl]-2-[[12-[6-[[5-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-6-carboxylato-4-hydroxy-3,4,5,6-tetrahydro-2H-pyran-3-id-2-yl]oxy]hexylamino]-3,12-dioxododecoxy]methyl]butoxy]propanoylamino]-8-oxopentadecoxy]-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate
CID 162145249
6-[6-[2-carboxy-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfooxyoxane-2-carboxylic acid
CID 161068726
3-[3-acetamido-5-[5-[3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-carboxy-4-hydroxy-3-sulfooxyoxan-2-yl]oxy-4-hydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[6-(3-hydroxypropanoylamino)hexoxy]-5-sulfooxyoxane-2-carboxylic acid
CID 118439246
pentasodium;(2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-5-(sulfonatoamino)-6-[2-(sulfonatoamino)ethoxy]-2-(sulfonatooxymethyl)oxan-3-yl]oxyoxane-2-carboxylate
CID 155537182
octasodium;(3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2R,3R,4S,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2R,3R,4S,5S)-5-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2R,3R,4S,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(5-aminopentoxy)-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate
CID 137334165
(2R,3S,4S,5R,6R)-6-[5-(2-aminoethylsulfonyl)pentoxy]-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxylato-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxylato-5-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-hydroxy-3-sulfooxyoxan-2-yl]oxy-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-hydroxy-3-sulfooxyoxan-2-yl]oxy-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-hydroxy-5-sulfooxyoxane-2-carboxylate
CID 102150795
tridecasodium;[(2R,3R,4R,5S,6S)-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5R,6R)-3,5-disulfonatooxy-6-(sulfonatooxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[3-(octadecanoylamino)propoxy]-3,4-disulfonatooxyoxan-2-yl]methyl sulfate
CID 57412320
tetrasodium;(3S,4R,6R)-4-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-methoxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-sulfonatooxy-6-[[(3S,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxane-2-carboxylate
CID 146764206
dodecasodium;(3S,4R,5R,6R)-6-(5-aminopentoxy)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-6-carboxylato-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S)-6-carboxylato-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-6-carboxylato-5-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylate
CID 137334100
tetrasodium;(3R,4S,6R)-4-hydroxy-3-[(2S,4R,5R)-4-hydroxy-5-methoxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-sulfonatooxy-6-[[(3R,4S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxane-2-carboxylate
CID 58805973
octadecasodium;(2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6S)-6-carboxylato-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6S)-6-carboxylato-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6S)-6-carboxylato-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6S)-6-carboxylato-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6S)-6-carboxylato-5-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-[6-[[2-(4-methoxybenzoyl)sulfanylacetyl]amino]hexoxy]oxane-2-carboxylate
CID 71531101

Frequently Asked Questions

What is the IUPAC name of hexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate?
The IUPAC name of hexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate (CID 161068725) is hexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate.
What is the SMILES notation for hexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate?
The canonical SMILES for hexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate is CCCCCCCC(=O)CCCCCCCOC1OC(C(=O)[O-])C(OC2OC(COS(=O)(=O)[O-])C(OC3OC(C(=O)[O-])C(OC4OC(CC)C(O)C(O)C4NC(C)=O)C(O)C3OS(=O)(=O)[O-])C(O)C2NC(C)=O)C(O)C1OS(=O)(=O)[O-].CCCCCCCC(=O)CCCCCCCOC1OC(C(=O)[O-])C(OC2OC(COS(=O)(=O)[O-])C(OC3OC(C(=O)[O-])C(OC4OC(CC)C(O)C(O)C4NS(=O)(=O)[O-])C(O)C3OS(=O)(=O)[O-])C(O)C2NS(=O)(=O)[O-])C(O)C1OS(=O)(=O)[O-].O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.[CH2-]C1OC(OC2C(C(=O)[O-])OC(OC3C([CH2-])OC(OC4C(C(=O)[O-])OC(OCCCCCCNC(=O)CCCCCCCNC(=O)COCCOCCOCC(=O)CCC)C(OS(=O)(=O)[O-])C4O)C(NC(C)=O)C3O)C(OS(=O)(=O)[O-])C2O)C(NC(C)=O)C(O)C1O.[CH2-]C1OC(OC2C(C(=O)[O-])OC(OC3C([CH2-])OC(OC4C(C(=O)[O-])OC(OCCCCCCNC(=O)CCCCCCCNC(=O)COCCOCCOCC(=O)CCC)C(OS(=O)(=O)[O-])C4O)C(NS(=O)(=O)[O-])C3O)C(OS(=O)(=O)[O-])C2O)C(NS(=O)(=O)[O-])C(O)C1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of hexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate?
The InChIKey is XPWDLWXTZZLVBJ-UHFFFAOYSA-A. The full InChI is InChI=1S/C53H88N4O33S2.C49H84N4O37S4.C44H74N2O32S3.C40H70N2O36S5.26Na.4H2O4S/c1-6-16-31(60)25-79-23-21-78-22-24-80-26-33(62)55-19-13-9-7-8-12-17-32(61)54-18-14-10-11-15-20-81-52-44(89-91(72,73)74)39(66)42(46(87-52)48(68)69)86-51-35(57-30(5)59)38(65)41(28(3)83-51)84-53-45(90-92(75,76)77)40(67)43(47(88-53)49(70)71)85-50-34(56-29(4)58)37(64)36(63)27(2)82-50;1-4-14-27(54)23-79-21-19-78-20-22-80-24-29(56)51-17-11-7-5-6-10-15-28(55)50-16-12-8-9-13-18-81-48-40(89-93(72,73)74)35(60)38(42(87-48)44(62)63)86-47-31(53-92(69,70)71)34(59)37(26(3)83-47)84-49-41(90-94(75,76)77)36(61)39(43(88-49)45(64)65)85-46-30(52-91(66,67)68)33(58)32(57)25(2)82-46;1-5-7-8-10-13-16-22(49)17-14-11-9-12-15-18-68-43-35(77-80(62,63)64)30(53)33(37(75-43)39(55)56)74-42-26(46-21(4)48)29(52)32(24(71-42)19-69-79(59,60)61)72-44-36(78-81(65,66)67)31(54)34(38(76-44)40(57)58)73-41-25(45-20(3)47)28(51)27(50)23(6-2)70-41;1-3-5-6-8-11-14-18(43)15-12-9-7-10-13-16-68-39-31(77-82(62,63)64)26(47)29(33(75-39)35(49)50)74-38-22(42-80(56,57)58)25(46)28(20(71-38)17-69-81(59,60)61)72-40-32(78-83(65,66)67)27(48)30(34(76-40)36(51)52)73-37-21(41-79(53,54)55)24(45)23(44)19(4-2)70-37;;;;;;;;;;;;;;;;;;;;;;;;;;;4*1-5(2,3)4/h27-28,34-47,50-53,63-67H,2-3,6-26H2,1,4-5H3,(H,54,61)(H,55,62)(H,56,58)(H,57,59)(H,68,69)(H,70,71)(H,72,73,74)(H,75,76,77);25-26,30-43,46-49,52-53,57-61H,2-24H2,1H3,(H,50,55)(H,51,56)(H,62,63)(H,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77);23-38,41-44,50-54H,5-19H2,1-4H3,(H,45,47)(H,46,48)(H,55,56)(H,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);19-34,37-42,44-48H,3-17H2,1-2H3,(H,49,50)(H,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;;;;;;;;;;;;;;;;;;;;;;;;4*(H2,1,2,3,4)/q2*-2;;;26*+1;;;;/p-26.
What are the key properties of hexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate?
hexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate has a molecular weight of 6341.31 g/mol, XLogP of -115.22, 154 rotatable bonds, 36 hydrogen bond donors, and 150 hydrogen bond acceptors.
Where does this data come from?
All data for hexacosasodium;3-[3-acetamido-5-[5-(3-acetamido-4,5-dihydroxy-6-methanidyloxan-2-yl)oxy-6-carboxylato-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyloxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[5-acetamido-6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-(3-acetamido-6-ethyl-4,5-dihydroxyoxan-2-yl)oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;3-[5-[6-carboxylato-5-[4,5-dihydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methanidyl-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-6-[6-[8-[[2-[2-[2-(2-oxopentoxy)ethoxy]ethoxy]acetyl]amino]octanoylamino]hexoxy]-5-sulfonatooxyoxane-2-carboxylate;6-[6-[2-carboxylato-4-hydroxy-6-(8-oxopentadecoxy)-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[6-ethyl-4,5-dihydroxy-3-(sulfonatoamino)oxan-2-yl]oxy-4-hydroxy-5-sulfonatooxyoxane-2-carboxylate;hydrogen sulfate is sourced from PubChem (CID 161068725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).