| Pubchem ID | 90472979 |
|---|---|
| CAS | 5996-22-5 |
| IUPAC name | calcium;(2S)-2-amino-5-hydroxy-5-oxopentanoate;dihydrate |
| Synonyms | - |
| Categories | Not Categorized |
| SMILES | C(CC(=O)O)C(C(=O)[O-])N.C(CC(=O)O)C(C(=O)[O-])N.O.O.[Ca+2] |
| InCheykey | InChI=1S/2C5H9NO4.Ca.2H2O/c2*6-3(5(9)10)1-2-4(7)8;;;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);;2*1H2/q;;+2;;/p-2/t2*3-;;;/m00.../s1 |
| Natural | nan |
| E No. | E623 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 368.352 | 6 | 12 | 10 | 209.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Very Low Absorption | Too Soluble | Weaker / Non binder | Undefined | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |