Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110243
Identification
Name: phosphonate
Description:A divalent inorganic anion obtained by removal of both protons from phosphonic acid
Structure
Thumb
Synonyms:
  • hydrogenphosphite
Chemical Formula: HO3P
Average Molecular Weight: 79.98
Monoisotopic Molecular Weight: 81.9819804726
InChI Key: ABLZXFCXXLZCGV-UHFFFAOYSA-L
InChI: InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2
CAS number: Not Available
IUPAC Name:hydridotrioxidophosphate(2−)
Traditional IUPAC Name: Not Available
SMILES:O=[PH]([O-])[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of inorganic compounds known as non-metal phosphonates. These are inorganic non-metallic compounds containing a phosphonate as its largest oxoanion.
Kingdom Inorganic compounds
Super ClassHomogeneous non-metal compounds
Class Non-metal oxoanionic compounds
Sub ClassNon-metal phosphonates
Direct Parent Non-metal phosphonates
Alternative Parents
Substituents
  • Non-metal phosphonate
  • Inorganic oxide
Molecular Framework Not Available
External Descriptors
  • divalent inorganic anion, phosphorus oxoanion (CHEBI:16215)
  • an inorganic phosphorus-containing ion (PHOSPHONATE)
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight78.971 g/molPubChem
XLogP3-AA-1.8 PubChem
Hydrogen Bond Donor Count0 PubChem
Hydrogen Bond Acceptor Count3 PubChem
Rotatable Bond Count0 PubChem
Exact Mass78.959 g/molPubChem
Monoisotopic Mass78.959 g/molPubChem
Topological Polar Surface Area57.2 A^2PubChem
Heavy Atom Count4 PubChem
Formal Charge-1 PubChem
Complexity36.5 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CAS13598-36-2
    ChEBI16215
    ChemSpider20171569
    IAF126048890
    KEGGC06701
    PubChem6326969