POTASSIUM LAURYL PHOSPHATE
General Information
| Mainterm | POTASSIUM LAURYL PHOSPHATE |
| CAS Reg.No.(or other ID) | 39322-78-6 |
| Regnum |
177.1632 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 11970398 |
| IUPAC Name | dipotassium;dodecyl phosphate |
| InChI | InChI=1S/C12H27O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;/h2-12H2,1H3,(H2,13,14,15);;/q;2*+1/p-2 |
| InChI Key | GWTCIAGIKURVBJ-UHFFFAOYSA-L |
| Canonical SMILES | CCCCCCCCCCCCOP(=O)([O-])[O-].[K+].[K+] |
| Molecular Formula | C12H25K2O4P |
| Wikipedia | dipotassium monolauryl phosphate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 342.498 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 11 |
| Complexity | 191.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B w O A I A Y A A A A A A A A A A A A A A A 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 g A A A C A A C A C g g A I C A A A A A R 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 I A A A A A A A A E A A A A A A G A w K A A A A A A A A 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 | 72.4 |
| Monoisotopic Mass | 342.076 |
| Exact Mass | 342.076 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| 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 | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic phosphoric acids and derivatives |
| Subclass | Phosphate esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkyl phosphates |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alkyl phosphate - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Organic cation - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl phosphates. These are organic compounds containing a phosphate group that is linked to one or more alkyl chains. |
From ClassyFire