| Pubchem ID | 53471915 |
|---|---|
| CAS | 782498-03-7 |
| IUPAC name | hydroxy-[2-(2-hydroxypropanoylamino)ethoxy]-oxophosphanium |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC(C(=O)NCCO[P+](=O)O)O |
| InCheykey | InChI=1S/C5H9NO5P/c1-4(7)5(8)6-2-3-11-12(9)10/h4,7H,2-3H2,1H3/q-1/p+2 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 196.119 | 3 | 5 | 5 | 95.9 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Too Soluble | Weaker / Non binder | Undefined | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Irritant | Degradable |