| Pubchem ID | 56841640 |
|---|---|
| CAS | 2554-04-3 |
| IUPAC name | azanium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate |
| Synonyms | Monoammonium gluconate |
| Categories | Emulsifier |
| SMILES | C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[NH4+] |
| InCheykey | InChI=1S/C6H12O7.H3N/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);1H3/t2-,3-,4+,5-;/m1./s1 |
| 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 |
|---|---|---|---|---|
| 213.186 | 6 | 7 | 4 | 142.0 |
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 | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |