1.0 2016-06-03 13:33:05 UTC 2026-04-05 16:19:48 UTC hydrogen ({[2-({2-[bis(phosphonomethyl)amino]ethyl}(phosphonomethyl)amino)ethyl](phosphonomethyl)amino}methyl)phosphonate SmallMolecule hydrogen ({[2-({2-[bis(phosphonomethyl)amino]ethyl}(phosphonomethyl)amino)ethyl](phosphonomethyl)amino}methyl)phosphonate belongs to the organic phosphonic acids, a subclass of organic phosphonic acids and derivatives within the organic compounds. With an average molecular weight of 572.19 g/mol, hydrogen ({[2-({2-[bis(phosphonomethyl)amino]ethyl}(phosphonomethyl)amino)ethyl](phosphonomethyl)amino}methyl)phosphonate is a heavy molecule. It has the chemical formula C9H27N3O15P5. This compound is found in or released from 19 recorded sources. Within aquatic systems and sediments, it is detected in groundwater, surface water, seawater, and freshwater. It is also present in drinking water and water supply sources, including drinking water, tap water, bottled water, and desalinated water. In the sector of wastewater, sanitation, and biosolids, the compound appears in industrial wastewater, wastewater treatment effluent, mine wastewater, and unspecified wastewater. Additionally, it is associated with appliances, HVAC, and refrigerants, specifically in water coolers and water heaters. Within marine, shipping, and aquaculture contexts, it is found in ballast water and bilge water, while agriculture and land management sources include irrigation water. Two additional sectors have also been recorded. Exposure routes for this compound include inhalation, oral ingestion, and touch. PMT C9H27N3O15P5 572.19 572.013575751 hydrogen {[bis({2-[bis(phosphonomethyl)amino]ethyl})amino]methyl}phosphonate hydrogen [bis({2-[bis(phosphonomethyl)amino]ethyl})amino]methylphosphonate OP(O)(=O)CN(CCN(CCN(CP(O)(O)=O)CP(O)(O)=O)CP(O)([O-])=O)CP(O)(O)=O InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)/p-1 DUYCTCQXNHFCSJ-UHFFFAOYSA-M Organic compounds Organic acids and derivatives Organic phosphonic acids and derivatives Organic phosphonic acids Organic phosphonic acids Hydrocarbon derivatives Organic anions Organic oxides Organonitrogen compounds Organophosphorus compounds Organopnictogen compounds Aliphatic acyclic compound Hydrocarbon derivative Organic anion Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organophosphonic acid Organophosphorus compound Organopnictogen compound Aliphatic acyclic compounds Detected and Not Quantified logp -0.46 ALOGPS logs -1.56 ALOGPS solubility 1.62e+01 g/l ALOGPS logp -5.3 ChemAxon pka_strongest_acidic 0.96 ChemAxon iupac hydrogen {[bis({2-[bis(phosphonomethyl)amino]ethyl})amino]methyl}phosphonate ChemAxon average_mass 572.19 ChemAxon mono_mass 572.013575751 ChemAxon smiles OP(O)(=O)CN(CCN(CCN(CP(O)(O)=O)CP(O)(O)=O)CP(O)([O-])=O)CP(O)(O)=O ChemAxon formula C9H27N3O15P5 ChemAxon inchi InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)/p-1 ChemAxon inchikey DUYCTCQXNHFCSJ-UHFFFAOYSA-M ChemAxon polar_surface_area 300.2 ChemAxon refractivity 107.79 ChemAxon polarizability 43.45 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 18 ChemAxon donor_count 9 ChemAxon physiological_charge -5 ChemAxon formal_charge -1 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726525d490> 139594814