1.0 2010-04-08 22:09:02 UTC 2025-11-18 23:18:59 UTC FDB010264 Sodium copper chlorophyllin It is used as a food additive . C34H34CuN4O6 658.203 657.177435919 copper(2+) ion 19-carboxy-15-(2-carboxyethyl)-17-(carboxymethyl)-9-ethenyl-4-ethyl-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16,18-decaene-21,23-diide copper(2+) ion 19-carboxy-15-(2-carboxyethyl)-17-(carboxymethyl)-9-ethenyl-4-ethyl-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16,18-decaene-21,23-diide 28302-36-5 [Cu++].CCC1=C(C)C2=N\C\1=C/C1=C(C)C(C(O)=O)=C([N-]1)\C(CC(O)=O)=C1/N=C(/C=C3\[N-]/C(=C\2)C(C=C)=C3C)C(C)C1CCC(O)=O InChI=1S/C34H36N4O6.Cu/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2 ZDOYGJNADZJRFB-UHFFFAOYSA-L belongs to the class of organic compounds known as chlorins. These are large heterocyclic aromatic ring systems consisting, at the core, of three pyrroles and one pyrroline coupled through four methine linkages. Chlorins Organic compounds Organoheterocyclic compounds Tetrapyrroles and derivatives Chlorins Aromatic heteropolycyclic compounds Azacyclic compounds Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Organic copper salts Organic oxides Organic zwitterions Organonitrogen compounds Organopnictogen compounds Pyrrole carboxylic acids Substituted pyrroles Tricarboxylic acids and derivatives Aromatic heteropolycyclic compound Azacycle Carbonyl group Carboxylic acid Carboxylic acid derivative Chlorin Heteroaromatic compound Hydrocarbon derivative Organic copper salt Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic transition metal salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Pyrrole-3-carboxylic acid Pyrrole-3-carboxylic acid or derivatives Substituted pyrrole Tricarboxylic acid or derivatives logp 3.34 ALOGPS logs -4.34 ALOGPS solubility 3.25e-02 g/l ALOGPS logp 4.24 ChemAxon pka_strongest_acidic 3.03 ChemAxon pka_strongest_basic 4.96 ChemAxon iupac copper(2+) ion 19-carboxy-15-(2-carboxyethyl)-17-(carboxymethyl)-9-ethenyl-4-ethyl-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16,18-decaene-21,23-diide ChemAxon average_mass 658.203 ChemAxon mono_mass 657.177435919 ChemAxon smiles [Cu++].CCC1=C(C)C2=N\C\1=C/C1=C(C)C(C(O)=O)=C([N-]1)\C(CC(O)=O)=C1/N=C(/C=C3\[N-]/C(=C\2)C(C=C)=C3C)C(C)C1CCC(O)=O ChemAxon formula C34H34CuN4O6 ChemAxon inchi InChI=1S/C34H36N4O6.Cu/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2 ChemAxon inchikey ZDOYGJNADZJRFB-UHFFFAOYSA-L ChemAxon polar_surface_area 163.46 ChemAxon refractivity 167.12 ChemAxon polarizability 64.72 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 10 ChemAxon donor_count 3 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1226152 Specdb::MsMs 1226153 Specdb::MsMs 1226154 Specdb::MsMs 1341748 Specdb::MsMs 1341749 Specdb::MsMs 1341750 49553