| Pubchem ID | 54675810 |
|---|---|
| CAS | 89-65-6 |
| IUPAC name | (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one |
| Synonyms | Isoascorbic acid|D-Isoascorbic acid|D-Araboascorbic acid|Araboascorbic acid|D-Erythorbic acid|Isovitamin C|Neo-cebicure|Saccharosonic acid|Mercate 5|Glucosaccharonic acid|Erythroascorbic acid, D-|Erycorbin|FEMA No. 2410 |
| Categories | Antimicrobial agent |
| SMILES | C(C(C1C(=C(C(=O)O1)O)O)O)O |
| InCheykey | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m1/s1 |
| Natural | nan |
| E No. | E315 |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 176.124 | 4 | 6 | 2 | 107.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate 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 | Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Irritant | Degradable |