1.0 2010-04-08 22:11:04 UTC 2017-04-03 04:52:17 UTC FDB014068 Ferric pyrophosphate - sodium citrate Food additive Ferric pyrophosphate - sodium citrate C6H5Fe4Na3O28P6 1003.279 1003.448381205 tetrairon(3+) ion trisodium 2-hydroxypropane-1,2,3-tricarboxylate tri(phosphonatooxy)phosphonate tetrairon(3+) ion trisodium citrate tridiphosphate 61618-27-7 [Na+].[Na+].[Na+].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O InChI=1S/C6H8O7.4Fe.3Na.3H4O7P2/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;3*1-8(2,3)7-9(4,5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;;3*(H2,1,2,3)(H2,4,5,6)/q;4*+3;3*+1;;;/p-15 NLJWPEYXBJBXAM-UHFFFAOYSA-A belongs to the class of organic compounds known as organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O. Organic pyrophosphates Organic compounds Organic oxygen compounds Organic oxoanionic compounds Organic pyrophosphates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid salts Carboxylic acids Hydrocarbon derivatives Organic oxides Organic phosphoric acids and derivatives Organic sodium salts Organic transition metal salts Tertiary alcohols Tricarboxylic acids and derivatives Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid salt Hydrocarbon derivative Organic alkali metal salt Organic oxide Organic phosphoric acid derivative Organic pyrophosphate Organic salt Organic sodium salt Organic transition metal salt Organooxygen compound Tertiary alcohol Tricarboxylic acid or derivatives logp -1.3 ChemAxon pka_strongest_acidic 3.05 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac tetrairon(3+) ion trisodium 2-hydroxypropane-1,2,3-tricarboxylate tri(phosphonatooxy)phosphonate ChemAxon average_mass 1003.279 ChemAxon mono_mass 1003.448381205 ChemAxon smiles [Na+].[Na+].[Na+].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O ChemAxon formula C6H5Fe4Na3O28P6 ChemAxon inchi InChI=1S/C6H8O7.4Fe.3Na.3H4O7P2/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;3*1-8(2,3)7-9(4,5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;;3*(H2,1,2,3)(H2,4,5,6)/q;4*+3;3*+1;;;/p-15 ChemAxon inchikey NLJWPEYXBJBXAM-UHFFFAOYSA-A ChemAxon polar_surface_area 140.62 ChemAxon refractivity 68.14 ChemAxon polarizability 14.26 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 7 ChemAxon donor_count 1 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon