Record Information
Version1.0
Creation date2010-04-08 22:10:44 UTC
Update date2015-07-20 22:59:42 UTC
Primary IDFDB013486
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameZinc carbonate
DescriptionZinc carbonate belongs to the class of organic compounds known as organic carbonic acids. Organic carbonic acids are compounds comprising the carbonic acid functional group. Zinc carbonate is a very weakly acidic compound (based on its pKa). Zinc carbonate is a potentially toxic compound.
CAS Number3486-35-9
Structure
Thumb
Synonyms
SynonymSource
Zinc carbonic acidGenerator
Bis((carbonato)hexahydroxypentazincbiospider
Bis(carbonato(2-))hexahydroxypentazincbiospider
Carbonic acid, zinc salt (1:1)biospider
Natural smithsonitebiospider
Zinc carbonatebiospider
Zinc carbonate (1:1)biospider
Zinc monocarbonatebiospider
Zincsparbiospider
Predicted Properties
PropertyValueSource
Water Solubility77.5 g/LALOGPS
logP0.4ALOGPS
logP0.25ChemAxon
logS-0.36ALOGPS
pKa (Strongest Acidic)6.05ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area63.19 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity31.17 m³·mol⁻¹ChemAxon
Polarizability3.52 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaCO3Zn
IUPAC namezinc(2+) ion carbonate
InChI IdentifierInChI=1S/CH2O3.Zn/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
InChI KeyFMRLDPWIRHBCCC-UHFFFAOYSA-L
Isomeric SMILES[Zn++].[O-]C([O-])=O
Average Molecular Weight125.418
Monoisotopic Molecular Weight123.913890444
Classification
Description Belongs to the class of organic compounds known as organic carbonic acids. Organic carbonic acids are compounds comprising the carbonic acid functional group.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic carbonic acids and derivatives
Sub ClassOrganic carbonic acids
Direct ParentOrganic carbonic acids
Alternative Parents
Substituents
  • Carbonate salt
  • Carbonic acid
  • Organic transition metal salt
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Environmental role:

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 9.58%; O 38.28%; Zn 52.15%DFC
Melting PointNot Available
Boiling PointNot Available
Experimental Water Solubility0.1 mg/mL at 15 oCMERCK INDEX (1996)
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
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSZinc carbonate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-00fr-0900000000-f6f71ee692c170dd5ddcSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-0900000000-743c15de0ce076d3e5e5Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-0900000000-743c15de0ce076d3e5e5Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00di-0900000000-743c15de0ce076d3e5e5Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID19005
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB34905
CRC / DFC (Dictionary of Food Compounds) IDJDF70-H:JDF70-H
EAFUS ID3903
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