calcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide

C156H231CaF6K3Mg4N8O72S8 — CID 159351138

IUPACcalcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide
SMILESCCCOCCOCCOc1ccc(OC(F)(F)F)c(C2=N[C@@](C)(C(=O)O)CS2)c1.CCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CS2)c1.COCCOCCOCCOCCOCCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CS2)c1.COCCOCCOCCOCCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CS2)c1.COCCOCCOCCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CS2)c1.COCCOCCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CS2)c1.COCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1.COCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(OC(F)(F)F)c1.[Ca+2].[K+].[K+].[K+].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/C26H41NO11S.C24H37NO10S.C22H33NO9S.C20H29NO8S.C19H24F3NO6S.C16H21NO5S.C15H16F3NO5S.C14H17NO5S.Ca.3K.4Mg.13H2O/c1-26(25(29)30)20-39-24(27-26)22-19-21(3-4-23(22)28)38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-8-7-32-6-5-31-2;1-24(23(27)28)18-36-22(25-24)20-17-19(3-4-21(20)26)35-16-15-34-14-13-33-12-11-32-10-9-31-8-7-30-6-5-29-2;1-22(21(25)26)16-33-20(23-22)18-15-17(3-4-19(18)24)32-14-13-31-12-11-30-10-9-29-8-7-28-6-5-27-2;1-20(19(23)24)14-30-18(21-20)16-13-15(3-4-17(16)22)29-12-11-28-10-9-27-8-7-26-6-5-25-2;1-3-6-26-7-8-27-9-10-28-13-4-5-15(29-19(20,21)22)14(11-13)16-23-18(2,12-30-16)17(24)25;1-3-6-21-7-8-22-11-4-5-13(18)12(9-11)14-17-16(2,10-23-14)15(19)20;1-14(13(20)21)8-25-12(19-14)10-4-3-9(23-6-5-22-2)7-11(10)24-15(16,17)18;1-14(13(17)18)8-21-12(15-14)10-4-3-9(7-11(10)16)20-6-5-19-2;;;;;;;;;;;;;;;;;;;;;/h3-4,19,28H,5-18,20H2,1-2H3,(H,29,30);3-4,17,26H,5-16,18H2,1-2H3,(H,27,28);3-4,15,24H,5-14,16H2,1-2H3,(H,25,26);3-4,13,22H,5-12,14H2,1-2H3,(H,23,24);4-5,11H,3,6-10,12H2,1-2H3,(H,24,25);4-5,9,18H,3,6-8,10H2,1-2H3,(H,19,20);3-4,7H,5-6,8H2,1-2H3,(H,20,21);3-4,7,16H,5-6,8H2,1-2H3,(H,17,18);;;;;;;;;13*1H2/q;;;;;;;;+2;3*+1;4*+2;;;;;;;;;;;;;/p-13/t26-;24-;22-;20-;18-;16-;2*14-;;;;;;;;;;;;;;;;;;;;;/m11111111...................../s1
InChIKeyLHIMNHKHNDFHJM-GFGKCRGISA-A
MW3995.66 g/mol
LogP5.10
Rot. Bonds111

About calcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide

calcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide (PubChem CID 159351138) has the molecular formula C156H231CaF6K3Mg4N8O72S8 and a molecular weight of 3995.66 g/mol. Its IUPAC name is calcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide.

Molecular Properties

Compound Namecalcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide
PubChem CID159351138
Molecular FormulaC156H231CaF6K3Mg4N8O72S8
Molecular Weight3995.66 g/mol
Exact Mass3991.03
IUPAC Namecalcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide
SMILESCCCOCCOCCOc1ccc(OC(F)(F)F)c(C2=N[C@@](C)(C(=O)O)CS2)c1.CCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CS2)c1.COCCOCCOCCOCCOCCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CS2)c1.COCCOCCOCCOCCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CS2)c1.COCCOCCOCCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CS2)c1.COCCOCCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CS2)c1.COCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1.COCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(OC(F)(F)F)c1.[Ca+2].[K+].[K+].[K+].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/C26H41NO11S.C24H37NO10S.C22H33NO9S.C20H29NO8S.C19H24F3NO6S.C16H21NO5S.C15H16F3NO5S.C14H17NO5S.Ca.3K.4Mg.13H2O/c1-26(25(29)30)20-39-24(27-26)22-19-21(3-4-23(22)28)38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-8-7-32-6-5-31-2;1-24(23(27)28)18-36-22(25-24)20-17-19(3-4-21(20)26)35-16-15-34-14-13-33-12-11-32-10-9-31-8-7-30-6-5-29-2;1-22(21(25)26)16-33-20(23-22)18-15-17(3-4-19(18)24)32-14-13-31-12-11-30-10-9-29-8-7-28-6-5-27-2;1-20(19(23)24)14-30-18(21-20)16-13-15(3-4-17(16)22)29-12-11-28-10-9-27-8-7-26-6-5-25-2;1-3-6-26-7-8-27-9-10-28-13-4-5-15(29-19(20,21)22)14(11-13)16-23-18(2,12-30-16)17(24)25;1-3-6-21-7-8-22-11-4-5-13(18)12(9-11)14-17-16(2,10-23-14)15(19)20;1-14(13(20)21)8-25-12(19-14)10-4-3-9(23-6-5-22-2)7-11(10)24-15(16,17)18;1-14(13(17)18)8-21-12(15-14)10-4-3-9(7-11(10)16)20-6-5-19-2;;;;;;;;;;;;;;;;;;;;;/h3-4,19,28H,5-18,20H2,1-2H3,(H,29,30);3-4,17,26H,5-16,18H2,1-2H3,(H,27,28);3-4,15,24H,5-14,16H2,1-2H3,(H,25,26);3-4,13,22H,5-12,14H2,1-2H3,(H,23,24);4-5,11H,3,6-10,12H2,1-2H3,(H,24,25);4-5,9,18H,3,6-8,10H2,1-2H3,(H,19,20);3-4,7H,5-6,8H2,1-2H3,(H,20,21);3-4,7,16H,5-6,8H2,1-2H3,(H,17,18);;;;;;;;;13*1H2/q;;;;;;;;+2;3*+1;4*+2;;;;;;;;;;;;;/p-13/t26-;24-;22-;20-;18-;16-;2*14-;;;;;;;;;;;;;;;;;;;;;/m11111111...................../s1
InChIKeyLHIMNHKHNDFHJM-GFGKCRGISA-A
XLogP5.10
TPSA1250.17 Ų
H-Bond Donors14
H-Bond Acceptors80
Rotatable Bonds111
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003995.66
LogP ≤ 55.10
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1080

Analyze calcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide with MolForge

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Related Compounds

2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 136623557
(4S)-2-[2-(2-ethylhexanoyloxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 67480512
(4S)-2-[2-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;2-piperidin-1-ylethanol
CID 173037873
2-[2-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 137071372
methyl (4S)-2-(4-butoxy-2-hydroxyphenyl)-4-methyl-5H-1,3-thiazole-4-carboxylate
CID 137286571
(4S)-2-[4-[2-(2-hydroxyethoxy)ethoxy]-2-methylphenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 148862404
(4S)-2-[4-(2-ethoxy-2-oxoethoxy)-2-hydroxyphenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 137053593
(4R)-2-[2-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid
CID 135968175
(4S)-2-[2-hydroxy-4-[2-[2-[2-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 144849526
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-[2-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate
CID 137156291
1-[(4S)-2-[2-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone
CID 137103375
2-azaniumyl-3-(1H-imidazol-3-ium-5-yl)propanoate;(4S)-2-[2-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate
CID 140551543

Frequently Asked Questions

What is the IUPAC name of calcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide?
The IUPAC name of calcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide (CID 159351138) is calcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide.
What is the SMILES notation for calcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide?
The canonical SMILES for calcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide is CCCOCCOCCOc1ccc(OC(F)(F)F)c(C2=N[C@@](C)(C(=O)O)CS2)c1.CCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CS2)c1.COCCOCCOCCOCCOCCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CS2)c1.COCCOCCOCCOCCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CS2)c1.COCCOCCOCCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CS2)c1.COCCOCCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CS2)c1.COCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1.COCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(OC(F)(F)F)c1.[Ca+2].[K+].[K+].[K+].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].
What is the InChIKey of calcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide?
The InChIKey is LHIMNHKHNDFHJM-GFGKCRGISA-A. The full InChI is InChI=1S/C26H41NO11S.C24H37NO10S.C22H33NO9S.C20H29NO8S.C19H24F3NO6S.C16H21NO5S.C15H16F3NO5S.C14H17NO5S.Ca.3K.4Mg.13H2O/c1-26(25(29)30)20-39-24(27-26)22-19-21(3-4-23(22)28)38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-8-7-32-6-5-31-2;1-24(23(27)28)18-36-22(25-24)20-17-19(3-4-21(20)26)35-16-15-34-14-13-33-12-11-32-10-9-31-8-7-30-6-5-29-2;1-22(21(25)26)16-33-20(23-22)18-15-17(3-4-19(18)24)32-14-13-31-12-11-30-10-9-29-8-7-28-6-5-27-2;1-20(19(23)24)14-30-18(21-20)16-13-15(3-4-17(16)22)29-12-11-28-10-9-27-8-7-26-6-5-25-2;1-3-6-26-7-8-27-9-10-28-13-4-5-15(29-19(20,21)22)14(11-13)16-23-18(2,12-30-16)17(24)25;1-3-6-21-7-8-22-11-4-5-13(18)12(9-11)14-17-16(2,10-23-14)15(19)20;1-14(13(20)21)8-25-12(19-14)10-4-3-9(23-6-5-22-2)7-11(10)24-15(16,17)18;1-14(13(17)18)8-21-12(15-14)10-4-3-9(7-11(10)16)20-6-5-19-2;;;;;;;;;;;;;;;;;;;;;/h3-4,19,28H,5-18,20H2,1-2H3,(H,29,30);3-4,17,26H,5-16,18H2,1-2H3,(H,27,28);3-4,15,24H,5-14,16H2,1-2H3,(H,25,26);3-4,13,22H,5-12,14H2,1-2H3,(H,23,24);4-5,11H,3,6-10,12H2,1-2H3,(H,24,25);4-5,9,18H,3,6-8,10H2,1-2H3,(H,19,20);3-4,7H,5-6,8H2,1-2H3,(H,20,21);3-4,7,16H,5-6,8H2,1-2H3,(H,17,18);;;;;;;;;13*1H2/q;;;;;;;;+2;3*+1;4*+2;;;;;;;;;;;;;/p-13/t26-;24-;22-;20-;18-;16-;2*14-;;;;;;;;;;;;;;;;;;;;;/m11111111...................../s1.
What are the key properties of calcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide?
calcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide has a molecular weight of 3995.66 g/mol, XLogP of 5.10, 111 rotatable bonds, 14 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;tetramagnesium;tripotassium;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-4-(2-methoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[2-hydroxy-5-(2-propoxyethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-2-[4-(2-methoxyethoxy)-2-(trifluoromethoxy)phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;(4S)-4-methyl-2-[5-[2-(2-propoxyethoxy)ethoxy]-2-(trifluoromethoxy)phenyl]-5H-1,3-thiazole-4-carboxylic acid;tridecahydroxide is sourced from PubChem (CID 159351138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).