| Pubchem ID | 135414245 |
|---|---|
| CAS | 4691-65-0 |
| IUPAC name | disodium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate |
| Synonyms | Disodium 5'-inosinate|Ribotide|IMP sodium salt|IMP disodium salt|Inosine-5'-monophosphoric acid disodium salt|5'-Imp disodium salt|Disodium inosine 5'-monophosphate|Disodium inosine 5'-phosphate|5'-IMPdisodium salt|Inosin-5'-monophosphate disodium|Inosine-5'-monophosphate disodium|Inosine 5'-monophosphate disodium|Disodium inosine-5'-monophosphate|Sodium 5'-inosin |
| Categories | Flavor enhancer |
| SMILES | C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+] |
| InCheykey | InChI=1S/C10H13N4O8P.2Na/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1 |
| Natural | nan |
| E No. | E631 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 392.171 | 3 | 10 | 3 | 181.0 |
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 | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |