Record Information
Version1.0
Creation date2010-04-08 22:09:02 UTC
Update date2018-05-28 23:27:16 UTC
Primary IDFDB010261
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium calcium aluminosilicate, hydrated
Descriptionaluminium(3+) ion calcium sodium 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 aluminium(3+) ion calcium sodium oxosilanebis(olate).
CAS Number1344-01-0
Structure
Thumb
Synonyms
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 FormulaAlCaNaO3Si
IUPAC namealuminium(3+) ion calcium sodium oxosilanebis(olate)
InChI IdentifierInChI=1S/Al.Ca.Na.O3Si/c;;;1-4(2)3/q+3;+2;+1;-2
InChI KeyOIPCKJDQCBSIIP-UHFFFAOYSA-N
Isomeric SMILES[Na+].[Al+3].[Ca++].[O-][Si]([O-])=O
Average Molecular Weight166.133
Monoisotopic Molecular Weight165.89556967
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 sodium 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
Physico-Chemical Properties - Experimental
Spectra
SpectraNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID44144394
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS ID3418
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
Processing...
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