Record Information
Version1.0
Creation Date2016-05-19 02:06:07 UTC
Update Date2016-11-09 01:09:36 UTC
Accession NumberCHEM005749
Identification
Common NameFERRIC PHOSPHATE
ClassSmall Molecule
DescriptionAn inorganic phosphate having Fe(3+) as the counterion.
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
FePO4ChEBI
Ferric orthophosphateChEBI
Ferric phosphateChEBI
Iron orthophosphateChEBI
Iron phosphateChEBI
Iron(III) phosphateChEBI
Ferric orthophosphoric acidGenerator
Ferric phosphoric acidGenerator
Iron orthophosphoric acidGenerator
Iron phosphoric acidGenerator
Iron(III) phosphoric acidGenerator
Iron(3+) phosphoric acidGenerator
Iron phosphoric acid (fepo4)Generator
Chemical FormulaFeO4P
Average Molecular Mass150.816 g/mol
Monoisotopic Mass150.888 g/mol
CAS Registry Number10045-86-0
IUPAC Nameiron(3+) ion phosphate
Traditional Nameiron(3+) ion phosphate
SMILES[Fe+3].[O-]P([O-])([O-])=O
InChI IdentifierInChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3
InChI KeyWBJZTOZJJYAKHQ-UHFFFAOYSA-K
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as transition metal phosphates. These are inorganic compounds in which the largest oxoanion is phosphate, and in which the heaviest atom not in an oxoanion is a transition metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassTransition metal oxoanionic compounds
Sub ClassTransition metal phosphates
Direct ParentTransition metal phosphates
Alternative Parents
Substituents
  • Transition metal phosphate
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP-1ChemAxon
pKa (Strongest Acidic)1.8ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area86.25 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.29 m³·mol⁻¹ChemAxon
Polarizability4.93 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-0900000000-ba7d319a0d1c92bd6fccSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-0900000000-ba7d319a0d1c92bd6fccSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0udi-0900000000-ba7d319a0d1c92bd6fccSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0900000000-1cede2811e38a0e51033Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-0900000000-1cede2811e38a0e51033Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-0900000000-1cede2811e38a0e51033Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0303426
FooDB IDFDB013360
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkIron(III)_phosphate
Chemspider ID23244
ChEBI ID131371
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=25582353