| Pubchem ID | 24847849 |
|---|---|
| CAS | 58944-89-1 |
| IUPAC name | 5-[3-[2-[2-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-6-[4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan -3-yl]oxy-2-hydroxypropoxy]-6-(hydroxymethyl)oxane-2,3,4-triol |
| 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)O)CO)O)O)O)O)O |
| InCheykey | InChI=1S/C36H64O27/c1-11-18(42)19(43)30(16(7-40)57-11)62-35-25(49)22(46)31(17(61-35)10-56-34-24(48)21(45)27(52-2)13(4-37)59-34)63-36-32(26(50)28(53-3)14(5-38)60-36)55-9-12(41)8-54-29-15(6-39)58-33(51) 23(47)20(29)44/h11-51H,4-10H2,1-3H3 |
| 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 |
|---|---|---|---|---|
| 928.881 | 15 | 27 | 19 | 414.0 |
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 |