Record Information
Version1.0
Creation date2010-04-08 22:11:51 UTC
Update date2018-05-29 01:19:03 UTC
Primary IDFDB015446
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePalygorskite
DescriptionIt is used in foods as a clarifying and flocculating agent [DFC]
CAS Number12174-11-7
Structure
Thumb
Synonyms
SynonymSource
Attapulgitedb_source
Palygorskitedb_source
Predicted Properties
PropertyValueSource
logP1.45ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaAl2H45Mg2O15Si4
IUPAC namedialumane tetradecahydrate dimagnesium tetrasilane hydroxide
InChI IdentifierInChI=1S/2Al.2Mg.15H2O.4H4Si/h;;;;15*1H2;4*1H4/p-1
InChI KeyNZGMGOQZZYLMJW-UHFFFAOYSA-M
Isomeric SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.[OH-].[Mg].[Mg].[Al].[Al].[SiH4].[SiH4].[SiH4].[SiH4]
Average Molecular Weight500.259
Monoisotopic Molecular Weight499.1172609
Classification
DescriptionThis compound belongs to the class of inorganic compounds known as post-transition metal hydroxides. These are inorganic compounds in which the largest oxoanion is hydroxide, and in which the heaviest atom not in an oxoanion is a post-transition metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassPost-transition metal oxoanionic compounds
Sub ClassPost-transition metal hydroxides
Direct ParentPost-transition metal hydroxides
Alternative Parents
Substituents
  • Post-transition metal hydroxide
  • Inorganic hydride
  • Inorganic oxide
  • Inorganic metalloid salt
  • Acyclic compound
Molecular FrameworkAcyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionH 2.00%; Mg 13.38%; O 59.89%; Si 24.74%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
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-0000090000-982cc96aef4a3a0f1a73View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-0000090000-982cc96aef4a3a0f1a73View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-0000090000-982cc96aef4a3a0f1a73View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0000090000-94871a4e5ba45d2d5ea5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-0000090000-94871a4e5ba45d2d5ea5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-0000090000-94871a4e5ba45d2d5ea5View in MoNA
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID56842194
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDDB01574
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKCC54-U:KCC54-U
EAFUS ID713
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDPalygorskite
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
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference