magnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate

C142H163FeMgN21O18+10 — CID 157059227

IUPACmagnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate
SMILESCC1=C(C(=O)OCc2cc[n+](CCN)cc2)c2cc3[n-]c4c(c3C)C(=O)C(C(=O)OCc3cc[n+](CCN)cc3)c4c3nc(cc4[n-]c(cc1n2)c(C(=O)OCc1cc[n+](CCN)cc1)c4C)C(C)=C3/C=C/C(=O)OCc1cc[n+](CCN)cc1.CCC1=C(C)c2cc3[n-]c(cc4[nH+]c(c5c6[n-]c(cc1[nH+]2)c(C)c6C(=O)C5C(=O)OCc1cc[n+](CCN)cc1)C(/C=C/C(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)=C4C)c(C(=O)OCc1ccc(CCN)cc1)c3C(=O)OCc1cc[n+](CCN)cc1.[Fe+4].[Mg+2]
InChIInChI=1S/C78H95N9O9.C64H66N12O9.Fe.Mg/c1-10-59-52(7)61-43-65-69(77(91)95-46-57-27-35-86(36-28-57)39-33-80)70(76(90)94-45-56-22-20-55(21-23-56)26-32-79)66(83-65)44-62-53(8)60(24-25-67(88)93-41-31-51(6)19-13-18-50(5)17-12-16-49(4)15-11-14-48(2)3)73(84-62)71-72(78(92)96-47-58-29-37-87(38-30-58)40-34-81)75(89)68-54(9)63(85-74(68)71)42-64(59)82-61;1-38-46(5-6-53(77)82-34-42-7-19-73(20-8-42)27-15-65)59-57-58(64(81)85-37-45-13-25-76(26-14-45)30-18-68)61(78)56-41(4)50(72-60(56)57)33-52-55(63(80)84-36-44-11-23-75(24-12-44)29-17-67)40(3)49(70-52)32-51-54(39(2)48(69-51)31-47(38)71-59)62(79)83-35-43-9-21-74(22-10-43)28-16-66;;/h20-25,27-31,35-38,42-44,48-50,72H,10-19,26,32-34,39-41,45-47,79-81H2,1-9H3;5-14,19-26,31-33,58H,15-18,27-30,34-37,65-68H2,1-4H3;;/q;+2;+4;+2/p+2/b51-31+,61-43?,62-44?,63-42?,64-42?,65-43?,66-44?,73-71-;47-31-,48-31-,49-32-,50-33-,51-32-,52-33-,59-57-;;
InChIKeyIXLSUQSNYOPYDX-MOGPUTOFSA-P
MW2532.14 g/mol
LogP14.28
Rot. Bonds53

About magnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate

magnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate (PubChem CID 157059227) has the molecular formula C142H163FeMgN21O18+10 and a molecular weight of 2532.14 g/mol. Its IUPAC name is magnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate.

Molecular Properties

Compound Namemagnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate
PubChem CID157059227
Molecular FormulaC142H163FeMgN21O18+10
Molecular Weight2532.14 g/mol
Exact Mass2530.16
IUPAC Namemagnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate
SMILESCC1=C(C(=O)OCc2cc[n+](CCN)cc2)c2cc3[n-]c4c(c3C)C(=O)C(C(=O)OCc3cc[n+](CCN)cc3)c4c3nc(cc4[n-]c(cc1n2)c(C(=O)OCc1cc[n+](CCN)cc1)c4C)C(C)=C3/C=C/C(=O)OCc1cc[n+](CCN)cc1.CCC1=C(C)c2cc3[n-]c(cc4[nH+]c(c5c6[n-]c(cc1[nH+]2)c(C)c6C(=O)C5C(=O)OCc1cc[n+](CCN)cc1)C(/C=C/C(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)=C4C)c(C(=O)OCc1ccc(CCN)cc1)c3C(=O)OCc1cc[n+](CCN)cc1.[Fe+4].[Mg+2]
InChIInChI=1S/C78H95N9O9.C64H66N12O9.Fe.Mg/c1-10-59-52(7)61-43-65-69(77(91)95-46-57-27-35-86(36-28-57)39-33-80)70(76(90)94-45-56-22-20-55(21-23-56)26-32-79)66(83-65)44-62-53(8)60(24-25-67(88)93-41-31-51(6)19-13-18-50(5)17-12-16-49(4)15-11-14-48(2)3)73(84-62)71-72(78(92)96-47-58-29-37-87(38-30-58)40-34-81)75(89)68-54(9)63(85-74(68)71)42-64(59)82-61;1-38-46(5-6-53(77)82-34-42-7-19-73(20-8-42)27-15-65)59-57-58(64(81)85-37-45-13-25-76(26-14-45)30-18-68)61(78)56-41(4)50(72-60(56)57)33-52-55(63(80)84-36-44-11-23-75(24-12-44)29-17-67)40(3)49(70-52)32-51-54(39(2)48(69-51)31-47(38)71-59)62(79)83-35-43-9-21-74(22-10-43)28-16-66;;/h20-25,27-31,35-38,42-44,48-50,72H,10-19,26,32-34,39-41,45-47,79-81H2,1-9H3;5-14,19-26,31-33,58H,15-18,27-30,34-37,65-68H2,1-4H3;;/q;+2;+4;+2/p+2/b51-31+,61-43?,62-44?,63-42?,64-42?,65-43?,66-44?,73-71-;47-31-,48-31-,49-32-,50-33-,51-32-,52-33-,59-57-;;
InChIKeyIXLSUQSNYOPYDX-MOGPUTOFSA-P
XLogP14.28
TPSA560.42 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds53
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002532.14
LogP ≤ 514.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze magnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate with MolForge

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Related Compounds

CID 140774643
CID 140774643
CID 145262469
CID 145262469
CID 145262474
CID 145262474
CID 145262485
CID 145262485
CID 153277993
CID 153277993
CID 153277995
CID 153277995
CID 155646588
CID 155646588
CID 157550174
CID 157550174
CID 157563846
CID 157563846
CID 158049393
CID 158049393
CID 158785396
CID 158785396
CID 159336372
CID 159336372

Frequently Asked Questions

What is the IUPAC name of magnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate?
The IUPAC name of magnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate (CID 157059227) is magnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate.
What is the SMILES notation for magnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate?
The canonical SMILES for magnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate is CC1=C(C(=O)OCc2cc[n+](CCN)cc2)c2cc3[n-]c4c(c3C)C(=O)C(C(=O)OCc3cc[n+](CCN)cc3)c4c3nc(cc4[n-]c(cc1n2)c(C(=O)OCc1cc[n+](CCN)cc1)c4C)C(C)=C3/C=C/C(=O)OCc1cc[n+](CCN)cc1.CCC1=C(C)c2cc3[n-]c(cc4[nH+]c(c5c6[n-]c(cc1[nH+]2)c(C)c6C(=O)C5C(=O)OCc1cc[n+](CCN)cc1)C(/C=C/C(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)=C4C)c(C(=O)OCc1ccc(CCN)cc1)c3C(=O)OCc1cc[n+](CCN)cc1.[Fe+4].[Mg+2].
What is the InChIKey of magnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate?
The InChIKey is IXLSUQSNYOPYDX-MOGPUTOFSA-P. The full InChI is InChI=1S/C78H95N9O9.C64H66N12O9.Fe.Mg/c1-10-59-52(7)61-43-65-69(77(91)95-46-57-27-35-86(36-28-57)39-33-80)70(76(90)94-45-56-22-20-55(21-23-56)26-32-79)66(83-65)44-62-53(8)60(24-25-67(88)93-41-31-51(6)19-13-18-50(5)17-12-16-49(4)15-11-14-48(2)3)73(84-62)71-72(78(92)96-47-58-29-37-87(38-30-58)40-34-81)75(89)68-54(9)63(85-74(68)71)42-64(59)82-61;1-38-46(5-6-53(77)82-34-42-7-19-73(20-8-42)27-15-65)59-57-58(64(81)85-37-45-13-25-76(26-14-45)30-18-68)61(78)56-41(4)50(72-60(56)57)33-52-55(63(80)84-36-44-11-23-75(24-12-44)29-17-67)40(3)49(70-52)32-51-54(39(2)48(69-51)31-47(38)71-59)62(79)83-35-43-9-21-74(22-10-43)28-16-66;;/h20-25,27-31,35-38,42-44,48-50,72H,10-19,26,32-34,39-41,45-47,79-81H2,1-9H3;5-14,19-26,31-33,58H,15-18,27-30,34-37,65-68H2,1-4H3;;/q;+2;+4;+2/p+2/b51-31+,61-43?,62-44?,63-42?,64-42?,65-43?,66-44?,73-71-;47-31-,48-31-,49-32-,50-33-,51-32-,52-33-,59-57-;;.
What are the key properties of magnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate?
magnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate has a molecular weight of 2532.14 g/mol, XLogP of 14.28, 53 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;17-O-[[4-(2-aminoethyl)phenyl]methyl] 3-O,16-O-bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 11-ethyl-12,21,26-trimethyl-4-oxo-22-[(E)-3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]prop-1-enyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,16,17-tricarboxylate;iron(4+);tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[(E)-3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxoprop-1-enyl]-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate is sourced from PubChem (CID 157059227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).