CALCIUM IODATE
Relevant Data
Food Additives Approved by WHO:
General Information
| Mainterm | CALCIUM IODATE |
| Doc Type | ASP |
| CAS Reg.No.(or other ID) | 7789-80-2 |
| Regnum |
136.110 582.80 184.1206 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 24619 |
| IUPAC Name | calcium;diiodate |
| InChI | InChI=1S/Ca.2HIO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2 |
| InChI Key | UHWJJLGTKIWIJO-UHFFFAOYSA-L |
| Canonical SMILES | [O-]I(=O)=O.[O-]I(=O)=O.[Ca+2] |
| Molecular Formula | Ca(IO3)2 |
| Wikipedia | calcium iodate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 389.881 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Complexity | 36.5 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A A O A A A A w g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 114.0 |
| Monoisotopic Mass | 389.741 |
| Exact Mass | 389.741 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 3 |
From Pubchem
Taxonomic Classification
| Kingdom | Inorganic compounds |
|---|---|
| Superclass | Mixed metal/non-metal compounds |
| Class | Alkaline earth metal oxoanionic compounds |
| Subclass | Alkaline earth metal iodates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkaline earth metal iodates |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Alkaline earth metal iodate - Inorganic calcium salt - Inorganic oxide - Inorganic salt |
| Description | This compound belongs to the class of inorganic compounds known as alkaline earth metal iodates. These are inorganic compounds in which the largest oxoanion is iodate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal. |
From ClassyFire