1.0 2010-04-08 22:06:06 UTC 2019-11-26 02:59:50 UTC FDB004145 Haematin . [fe(ppix)(oh)] Fe(ppix)(oh) Ferriheme hydroxide Ferriporphyrin hydroxide Ferriprotoporphyrin basic Ferriprotoporphyrin IX hydroxide Hematin Hydroxo(protoporphyrinato)iron(III) Hydroxyhemin Phenodin Protohematin C34H34FeN4O5 634.503 634.187862351 λ²-iron(2+) ion 5,9-bis(2-carboxyethyl)-14,19-diethenyl-4,10,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene-21,23-diide hydrate λ²-iron(2+) ion 5,9-bis(2-carboxyethyl)-14,19-diethenyl-4,10,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene-21,23-diide hydrate O.[Fe++].CC1=C(C=C)C2=CC3=NC(=CC4=C(C)C(CCC(O)=O)=C([N-]4)C=C4N=C(C=C1[N-]2)C(C)=C4CCC(O)=O)C(C=C)=C3C InChI=1S/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+2;/p-2 CODDGSIFXYHHJO-UHFFFAOYSA-L belongs to the class of organic compounds known as metalloporphyrins. These are polycyclic compounds containing a porphyrin moiety and a metal atom. Metalloporphyrins Organic compounds Organoheterocyclic compounds Tetrapyrroles and derivatives Metallotetrapyrroles Aromatic heteropolycyclic compounds Azacyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organic transition metal salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds Porphyrins Substituted pyrroles Aromatic heteropolycyclic compound Azacycle Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Metalloporphyrin Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic transition metal salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Porphyrin Pyrrole Substituted pyrrole logp 6.78 ChemAxon pka_strongest_acidic 3.68 ChemAxon pka_strongest_basic 4.96 ChemAxon iupac λ²-iron(2+) ion 5,9-bis(2-carboxyethyl)-14,19-diethenyl-4,10,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene-21,23-diide hydrate ChemAxon average_mass 634.503 ChemAxon mono_mass 634.187862351 ChemAxon smiles O.[Fe++].CC1=C(C=C)C2=CC3=NC(=CC4=C(C)C(CCC(O)=O)=C([N-]4)C=C4N=C(C=C1[N-]2)C(C)=C4CCC(O)=O)C(C=C)=C3C ChemAxon formula C34H34FeN4O5 ChemAxon inchi InChI=1S/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+2;/p-2 ChemAxon inchikey CODDGSIFXYHHJO-UHFFFAOYSA-L ChemAxon polar_surface_area 126.16 ChemAxon refractivity 165.03 ChemAxon polarizability 65.11 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 8 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon 36161 Cocoa bean Type 1 specific Theobroma cacao 3641 Horseradish Type 1 specific Armoracia rusticana 3704