Showing metabocard for Iodate (BMDB0001061)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 22:40:34 UTC
Update Date2020-04-22 15:06:32 UTC
BMDB IDBMDB0001061
Secondary Accession Numbers
  • BMDB01061
Metabolite Identification
Common NameIodate
DescriptionIodate, also known as iodic acid or iodate (i2O62-), belongs to the class of inorganic compounds known as other non-metal halides. These are inorganic compounds containing 'other non-metals' and halogen. Based on a literature review a significant number of articles have been published on Iodate.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Iodic acidGenerator
[IO3](-)HMDB
IO3(-)HMDB
Iodate (I2O62-)HMDB
Iodate (io3(1-))HMDB
Iodate anionHMDB
Iodate ionHMDB
Iodate ion (io31-)HMDB
Iodate(1-)HMDB
Iodic acid (hio3) ion(1-)HMDB
Trioxidoiodate(1-)HMDB
Chemical FormulaH3IO3
Average Molecular Weight177.924
Monoisotopic Molecular Weight177.91159
IUPAC Nametrihydroxyiodanediium
Traditional Nametrihydroxyiodanediium
CAS Registry Number15454-31-6
SMILES
O[I++](O)O
InChI Identifier
InChI=1S/H3IO3/c2-1(3)4/h2-4H/q+2
InChI KeyVNFOOPCKMZASMJ-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as other non-metal halides. These are inorganic compounds containing 'other non-metals' and halogen.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal halides
Sub ClassNot Available
Direct ParentOther non-metal halides
Alternative ParentsNot Available
Substituents
  • Other non-metal halide
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Physiological Charge2ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area60.69 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity21.03 m³·mol⁻¹ChemAxon
Polarizability9.38 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraNot Available
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0001061
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022400
KNApSAcK IDNot Available
Chemspider ID76615
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkIodate
METLIN IDNot Available
PubChem Compound84927
PDB IDNot Available
ChEBI ID29226
References
Synthesis ReferenceScrabal, A.; Gruber, Josef. Halogenoxy compounds. XII. Kinetics of the formation of iodate from iodine in presence of triiodide ion. Monatshefte fuer Chemie (1917), 37 535-48.
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available