ALUMINUM SODIUM SULFATE
General Information
| Mainterm | ALUMINUM SODIUM SULFATE |
| Doc Type | ASP |
| CAS Reg.No.(or other ID) | 7784-28-3 |
| Regnum |
175.105 182.90 182.1131 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 24568 |
| IUPAC Name | aluminum;sodium;disulfate;dodecahydrate |
| InChI | InChI=1S/Al.Na.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;;2*(H2,1,2,3,4);12*1H2/q+3;+1;;;;;;;;;;;;;;/p-4 |
| InChI Key | ZEMWIYASLJTEHQ-UHFFFAOYSA-J |
| Canonical SMILES | O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Al+3] |
| Molecular Formula | AlH24NaO20S2 |
| Wikipedia | aluminum sodium sulfate dodecahydrate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 458.263 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 0 |
| Complexity | 62.2 |
| CACTVS Substructure Key Fingerprint | A A A D c e A A P i B g A B 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 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 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 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 | 189.0 |
| Monoisotopic Mass | 458.002 |
| Exact Mass | 458.002 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| 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 | 16 |
From Pubchem
Taxonomic Classification
| Kingdom | Inorganic compounds |
|---|---|
| Superclass | Mixed metal/non-metal compounds |
| Class | Post-transition metal oxoanionic compounds |
| Subclass | Post-transition metal sulfates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Post-transition metal sulfates |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Post-transition metal sulfate - Inorganic sodium salt - Inorganic post-transition metal salt - Inorganic oxide - Inorganic salt |
| Description | This compound belongs to the class of inorganic compounds known as post-transition metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is a post-transition metal. |
From ClassyFire