Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID1020271

Structure

InChI Key BAMNLULPLWLXPO-UHFFFAOYSA-B
Smiles [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]Cl.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O
InChI
InChI=1S/ClO.13Na.4H3O4P/c1-2;;;;;;;;;;;;;;4*1-5(2,3)4/h;;;;;;;;;;;;;;4*(H3,1,2,3,4)/q-1;13*+1;;;;/p-12

Physicochemical Descriptors

Property Name Value
Molecular Formula ClNa13O17P4
Molecular Weight 729.64
AlogP -50.75
Hydrogen Bond Acceptor 17.0
Polar Surface Area 368.06
Heavy Atoms 35.0

Cross References

Resources Reference
CAS NUMBER 11084-85-8
NORMAN SUSDAT
PubChem 61532