| Pubchem ID | 54680660 |
|---|---|
| CAS | 137-66-6 |
| IUPAC name | [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate |
| Synonyms | L-Ascorbyl 6-palmitate|6-O-Palmitoyl-L-ascorbic acid|Ascorbic palmitate|L-Ascorbyl palmitate|scorbyl palmitate (NF) |
| Categories | Antioxidant |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)O |
| InCheykey | InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1 |
| Natural | nan |
| E No. | E304 |
| GHS Siginal | Warning |
| ADI Value | 0-1.25 mg/kg bw |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 414.539 | 3 | 7 | 18 | 113.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Low Absorption | Slightly 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 | Non-Irritant | Degradable |