POTASSIUM GLYCEROPHOSPHATE
General Information
| Mainterm | POTASSIUM GLYCEROPHOSPHATE |
| Doc Type | ASP |
| CAS Reg.No.(or other ID) | 1319-70-6 |
| Regnum |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 14835 |
| IUPAC Name | tetrapotassium;1,5-dihydroxypentan-3-yl phosphate;2,3-dihydroxypropyl phosphate |
| InChI | InChI=1S/C5H13O6P.C3H9O6P.4K/c6-3-1-5(2-4-7)11-12(8,9)10;4-1-3(5)2-9-10(6,7)8;;;;/h5-7H,1-4H2,(H2,8,9,10);3-5H,1-2H2,(H2,6,7,8);;;;/q;;4*+1/p-4 |
| InChI Key | AJRDRRBLSSWSKM-UHFFFAOYSA-J |
| Canonical SMILES | C(CO)C(CCO)OP(=O)([O-])[O-].C(C(COP(=O)([O-])[O-])O)O.[K+].[K+].[K+].[K+] |
| Molecular Formula | C8H18K4O12P2 |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 524.561 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Complexity | 254.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B w P A M 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 C C A A C B S g g A I A A A A A A x 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 B E A I A A A A A Q A A F A A A B A A C 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 = = |
| Topological Polar Surface Area | 226.0 |
| Monoisotopic Mass | 523.882 |
| Exact Mass | 523.882 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 6 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Glycerophospholipids |
| Subclass | Glycerophosphates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Glycerophosphates |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Sn-glycerol-3-phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Secondary alcohol - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as glycerophosphates. These are compounds containing a glycerol linked to a phosphate group. |
From ClassyFire