Aluminum magnesium carbonate hydroxide (synthetic hydrotalcite
General Information
| Mainterm | Aluminum magnesium carbonate hydroxide (synthetic hydrotalcite |
| CAS Reg.No.(or other ID) | 11097-59-9 |
| Regnum |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 159347 |
| IUPAC Name | dialuminum;hexamagnesium;carbonate;hexadecahydroxide |
| InChI | InChI=1S/CH2O3.2Al.6Mg.16H2O/c2-1(3)4;;;;;;;;;;;;;;;;;;;;;;;;/h(H2,2,3,4);;;;;;;;;16*1H2/q;2*+3;6*+2;;;;;;;;;;;;;;;;/p-18 |
| InChI Key | GDVKFRBCXAPAQJ-UHFFFAOYSA-A |
| Canonical SMILES | C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Al+3].[Al+3] |
| Molecular Formula | CH16Al2Mg6O19 |
| Wikipedia | aluminum magnesium hydroxide carbonate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 531.913 |
| Hydrogen Bond Donor Count | 16 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 0 |
| Complexity | 18.8 |
| CACTVS Substructure Key Fingerprint | A A A D c e A A P g A A A D 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 g A A C A A A A A A A A A A A C A A A A A A I A A A A C 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 | 79.2 |
| Monoisotopic Mass | 529.902 |
| Exact Mass | 529.902 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| 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 | 25 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic carbonic acids and derivatives |
| Subclass | Organic carbonic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organic carbonic acids |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carbonate salt - Carbonic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic aluminium salt - Organic salt - Organooxygen compound - Organic hydroxide - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organic carbonic acids. These are compounds comprising the carbonic acid functional group. |
From ClassyFire