SODIUM ZINC POTASSIUM POLYPHOSPHATE
General Information
| Mainterm | SODIUM ZINC POTASSIUM POLYPHOSPHATE |
| CAS Reg.No.(or other ID) | 65997-17-3 |
| Regnum |
176.170 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 166906 |
| IUPAC Name | calcium;sodium;phosphate |
| InChI | InChI=1S/Ca.Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q+2;+1;/p-3 |
| InChI Key | QXJJQWWVWRCVQT-UHFFFAOYSA-K |
| Canonical SMILES | [O-]P(=O)([O-])[O-].[Na+].[Ca+2] |
| Molecular Formula | CaNaO4P |
| Wikipedia | phosphoric acid (1,2-dibromo-3-tert-butoxy-2-chloro-propyl) dimethyl ester |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 158.038 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Complexity | 36.8 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A A O C I A A A 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 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 | 86.2 |
| Monoisotopic Mass | 157.906 |
| Exact Mass | 157.906 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| 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