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Showing Compound Sodium aluminium phosphate (FDB016308)

Record Information
Version1.0
Creation date2010-04-08 22:12:21 UTC
Update date2019-11-26 03:13:01 UTC
Primary IDFDB016308
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium aluminium phosphate
DescriptionSodium aluminium phosphate belongs to the class of inorganic compounds known as post-transition metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a post-transition metal. Sodium aluminium phosphate is possibly neutral. Sodium aluminium phosphate is an odorless tasting compound. Sodium aluminium phosphate has been detected, but not quantified in, cereals and cereal products and milk and milk products. This could make sodium aluminium phosphate a potential biomarker for the consumption of these foods.
CAS Number7785-88-8
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
Sodium aluminium phosphoric acidGenerator
Aluminum sodium phosphatebiospider
E541db_source
Phosphoric acid, aluminium sodium saltbiospider
Phosphoric acid, aluminum sodium saltbiospider
SALPdb_source
Sodium aluminum phosphatebiospider
Sodium aluminum phosphate, acidic or basicbiospider
Predicted Properties
PropertyValueSource
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area80.26 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.29 m³·mol⁻¹ChemAxon
Polarizability4.86 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaAl3NaO32P8
IUPAC nametrialuminium(3+) ion sodium octaoxophosphonate
InChI IdentifierInChI=1S/3Al.Na.8O4P/c;;;;8*1-5(2,3)4/q3*+3;+1;8*-2
InChI KeyUASSUEPSXUDOAA-UHFFFAOYSA-N
Isomeric SMILES[Na+].[Al+3].[Al+3].[Al+3].[O-][P]([O-])(=O)=O.[O-][P]([O-])(=O)=O.[O-][P]([O-])(=O)=O.[O-][P]([O-])(=O)=O.[O-][P]([O-])(=O)=O.[O-][P]([O-])(=O)=O.[O-][P]([O-])(=O)=O.[O-][P]([O-])(=O)=O
Average Molecular Weight863.7053
Monoisotopic Molecular Weight863.561744998
Classification
Description Belongs to the class of inorganic compounds known as post-transition metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a post-transition metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassPost-transition metal organides
Sub ClassPost-transition metal oxides
Direct ParentPost-transition metal oxides
Alternative Parents
Substituents
  • Post-transition metal oxide
  • Inorganic sodium salt
  • Inorganic post-transition metal salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionAl 9.22%; H 1.61%; Na 2.62%; O 58.32%; P 28.23%DFC
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
SpectraNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID3032541
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKQL97-W:KQL97-W
EAFUS ID3410
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1611161
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference