Record Information
Version1.0
Creation date2010-04-08 22:09:12 UTC
Update date2015-07-20 22:33:56 UTC
Primary IDFDB010577
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCalcium aluminosilicate
Descriptiondialuminium(3+) ion calcium tetrakis(oxosilanebis(olate)) belongs to the class of inorganic compounds known as post-transition metal silicates. These are inorganic compounds in which the largest oxoanion is silicate, and in which the heaviest atom not in an oxoanion is a post-transition metal. Based on a literature review very few articles have been published on dialuminium(3+) ion calcium tetrakis(oxosilanebis(olate)).
CAS Number12251-31-9
Structure
Thumb
Synonyms
SynonymSource
Dialuminium(3+) ion calcium tetrakis(oxosilanebis(olic acid))Generator
Calcium aluminosilicic acidGenerator
Calcium aluminosilicatedb_source
E554?db_source
Predicted Properties
PropertyValueSource
logP-1.4ChemAxon
pKa (Strongest Acidic)3.84ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area63.19 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity4.33 m³·mol⁻¹ChemAxon
Polarizability4.22 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaAl2CaO12Si4
IUPAC namedialuminium(3+) ion calcium tetrakis(oxosilanebis(olate))
InChI IdentifierInChI=1S/2Al.Ca.4O3Si/c;;;4*1-4(2)3/q2*+3;+2;4*-2
InChI KeyWNCYAPRTYDMSFP-UHFFFAOYSA-N
Isomeric SMILES[Al+3].[Al+3].[Ca++].[O-][Si]([O-])=O.[O-][Si]([O-])=O.[O-][Si]([O-])=O.[O-][Si]([O-])=O
Average Molecular Weight398.376
Monoisotopic Molecular Weight397.772349633
Classification
Description Belongs to the class of inorganic compounds known as post-transition metal silicates. These are inorganic compounds in which the largest oxoanion is silicate, 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 silicates
Direct ParentPost-transition metal silicates
Alternative Parents
Substituents
  • Post-transition metal silicate
  • Silicate
  • Inorganic calcium salt
  • Inorganic post-transition metal salt
  • Inorganic oxide
  • Inorganic salt
  • Inorganic metalloid salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionAl 13.55%; Ca 10.06%; O 48.19%; Si 28.20%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 IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDFDO68-N:FDO68-N
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
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
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference