Copper(II hydroxide phosphate
General Information
| Mainterm | Copper(II hydroxide phosphate |
| CAS Reg.No.(or other ID) | 12158-74-6 |
| Regnum |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 166635 |
| IUPAC Name | dicopper;hydroxide;phosphate |
| InChI | InChI=1S/2Cu.H3O4P.H2O/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);1H2/q2*+2;;/p-4 |
| InChI Key | WCMHCPWEQCWRSR-UHFFFAOYSA-J |
| Canonical SMILES | [OH-].[O-]P(=O)([O-])[O-].[Cu+2].[Cu+2] |
| Molecular Formula | Cu2HO5P |
| Wikipedia | copper hydroxide phosphate (cu2(oh)(po4)) |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 239.069 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Complexity | 36.8 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A A O A I A A A A E 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 C A A A A A A A A A A A A A A A B A A Q A A A A I 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 | 87.2 |
| Monoisotopic Mass | 237.815 |
| Exact Mass | 237.815 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| 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 | 4 |
From Pubchem
Taxonomic Classification
| Kingdom | Inorganic compounds |
|---|---|
| Superclass | Mixed metal/non-metal compounds |
| Class | Transition metal oxoanionic compounds |
| Subclass | Transition metal phosphates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Transition metal phosphates |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Transition metal phosphate - Inorganic copper salt - Inorganic hydride - Inorganic oxide - Inorganic salt |
| Description | This compound belongs to the class of inorganic compounds known as transition metal phosphates. These are inorganic compounds in which the largest oxoanion is phosphate, and in which the heaviest atom not in an oxoanion is a transition metal. |
From ClassyFire