POTASSIUM DISTEARYL PHOSPHATE
General Information
| Mainterm | POTASSIUM DISTEARYL PHOSPHATE |
| CAS Reg.No.(or other ID) | 4376-70-9 |
| Regnum |
176.180 176.210 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 23720648 |
| IUPAC Name | potassium;dioctadecyl phosphate |
| InChI | InChI=1S/C36H75O4P.K/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-36H2,1-2H3,(H,37,38);/q;+1/p-1 |
| InChI Key | UUYIGEHMMJXBBE-UHFFFAOYSA-M |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCCCC.[K+] |
| Molecular Formula | C36H74KO4P |
| Wikipedia | potassium distearyl phosphate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 641.056 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 36 |
| Complexity | 493.0 |
| CACTVS Substructure Key Fingerprint | A A A D c f B 8 O A I A Q A A A A A A A A A A A A A A A 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 | 58.6 |
| Monoisotopic Mass | 640.496 |
| Exact Mass | 640.496 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| 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 | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic phosphoric acids and derivatives |
| Subclass | Phosphate esters |
| Intermediate Tree Nodes | Alkyl phosphates |
| Direct Parent | Dialkyl phosphates |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Dialkyl 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 dialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly two alkyl chain. |
From ClassyFire