| Pubchem ID | 135414246 |
|---|---|
| CAS | 5550-12-9 |
| IUPAC name | disodium;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate |
| Synonyms | Guanosine 5'-monophosphate disodium salt|5'-Guanylic acid, disodium salt|Sodium guanylate|Disodium GMP|Disodium 5'-gmp|GMP disodium salt|5'-Guanylic acid disodium salt|5'-Gmp disodium salt|Guanosine 5'-(disodium phosphate)|GMP sodium salt|Sodium GMP|Disodium guanosine-5'-monophosphate|5-Guanylic acid disodium salt|Sodium 5'-guanylate|Guanosine 5'-monophosphate, disodium salt|Disodium guanosine 5'-monophosphate|Guanosine 5'-phosphate disodium salt |
| Categories | Flavor enhancer |
| SMILES | C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])[O-])O)O)N=C(NC2=O)N.[Na+].[Na+] |
| InCheykey | InChI=1S/C10H14N5O8P.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1 |
| Natural | nan |
| E No. | E627 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 407.186 | 4 | 10 | 3 | 207.0 |
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 | Optimal Solubility | 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 |