| Pubchem ID | 24832110 |
|---|---|
| CAS | 53123-84-5 |
| IUPAC name | [5-[5-[3-[3-[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-hydroxypropoxy]-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethy l]-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl] acetate |
| Synonyms | - |
| Categories | Emulsifier |
| SMILES | CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OCC(COC5C(OC(C(C5O)O)OC)CO)O)O)O)O)OC(=O)C |
| InCheykey | InChI=1S/C39H68O28/c1-13-29(61-14(2)44)27(52)33(19(9-43)60-13)66-38-26(51)23(48)34(20(65-38)12-59-37-25(50)21(46)30(54-3)16(6-40)63-37)67-39-35(28(53)31(55-4)17(7-41)64-39)58-11-15(45)10-57-32-18(8-42 )62-36(56-5)24(49)22(32)47/h13,15-43,45-53H,6-12H2,1-5H3 |
| 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 |
|---|---|---|---|---|
| 984.945 | 13 | 28 | 22 | 409.0 |
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 | Extremely Low Solubility | 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 |