| Pubchem ID | 135338046 |
|---|---|
| CAS | 84775-71-3 |
| IUPAC name | 6-[[2-[bis[2-oxo-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]acetyl]amino]hexanoic acid |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | C(CCC(=O)O)CCNC(=O)CN(CC(=O)NCCOC1C(C(C(C(O1)CO)O)O)O)CC(=O)NCCOC2C(C(C(C(O2)CO)O)O)O |
| InCheykey | InChI=1S/C28H50N4O17/c33-13-15-21(40)23(42)25(44)27(48-15)46-8-6-30-18(36)11-32(10-17(35)29-5-3-1-2-4-20(38)39)12-19(37)31-7-9-47-28-26(45)24(43)22(41)16(14-34)49-28/h15-16,21-28,33-34,40-45H,1-14H2,( H,29,35)(H,30,36)(H,31,37)(H,38,39)/t15-,16-,21-,22-,23+,24+,25-,26-,27+,28+/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 |
|---|---|---|---|---|
| 714.719 | 12 | 18 | 22 | 327.0 |
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 | 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 | Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Irritant | Degradable |