Showing Compound Zinc carbonate (FDB013486)

Record Information

Version

1.0

Creation date

2010-04-08 22:10:44 UTC

Update date

2015-07-20 22:59:42 UTC

Primary ID

FDB013486

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Zinc carbonate

Description

Zinc 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 Number

3486-35-9

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
Zinc carbonic acid	Generator
Bis((carbonato)hexahydroxypentazinc	biospider
Bis(carbonato(2-))hexahydroxypentazinc	biospider
Carbonic acid, zinc salt (1:1)	biospider
Natural smithsonite	biospider
Zinc carbonate	biospider
Zinc carbonate (1:1)	biospider
Zinc monocarbonate	biospider
Zincspar	biospider

Predicted Properties

Property	Value	Source
Water Solubility	77.5 g/L	ALOGPS
logP	0.4	ALOGPS
logP	0.25	ChemAxon
logS	-0.36	ALOGPS
pKa (Strongest Acidic)	6.05	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	63.19 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	31.17 m³·mol⁻¹	ChemAxon
Polarizability	3.52 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

CO3Zn

IUPAC name

zinc(2+) ion carbonate

InChI Identifier

InChI=1S/CH2O3.Zn/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2

InChI Key

FMRLDPWIRHBCCC-UHFFFAOYSA-L

Isomeric SMILES

[Zn++].[O-]C([O-])=O

Average Molecular Weight

125.418

Monoisotopic Molecular Weight

123.913890444

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.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic carbonic acids and derivatives

Sub Class

Organic carbonic acids

Direct Parent

Organic 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 Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Health effect:

Health condition:

Blood and lymphatic system disorders:

Anemia

General disorders and administration site conditions:

Pain

Nervous system disorders:

Gastrointestinal disorders:

Ingestion

Source:

Food

Biological location:

Subcellular:

Cytoplasm

Cell and elements:

Extracellular

Role

Industrial application:

Food and nutrition

Environmental role:

Air pollutant

Biological role:

Nutrient

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	C 9.58%; O 38.28%; Zn 52.15%	DFC
Melting Point	Not Available
Boiling Point	Not Available
Experimental Water Solubility	0.1 mg/mL at 15 oC	MERCK INDEX (1996)
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	Zinc carbonate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-00fr-0900000000-f6f71ee692c170dd5ddc	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00di-0900000000-743c15de0ce076d3e5e5	2017-09-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-0900000000-743c15de0ce076d3e5e5	2017-09-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00di-0900000000-743c15de0ce076d3e5e5	2017-09-01	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

Not Available

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

19005

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB34905

CRC / DFC (Dictionary of Food Compounds) ID

JDF70-H:JDF70-H

EAFUS ID

3903

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Not Available

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Not Available

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

Showing Compound Zinc carbonate (FDB013486)

Structure for FDB013486 (Zinc carbonate)