| Pubchem ID | 24832114 |
|---|---|
| CAS | 59419-60-2 |
| IUPAC name | 5-[3-[5-[5-[3-[3-[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3-hydroxypropoxy]-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy methyl]-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-2-hydroxypropyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol |
| 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)OCCC(O)OC5C(OC(C(C5O)O)OC)CO)O)O)O)OCC(CC6C(OC(C(C6O)O)OC)CO)O |
| InCheykey | InChI=1S/C47H84O33/c1-16-36(70-14-17(53)8-18-19(9-48)73-43(67-4)30(59)26(18)55)34(63)40(22(12-51)72-16)79-46-33(62)29(58)41(24(77-46)15-71-45-32(61)27(56)37(65-2)20(10-49)75-45)80-47-42(35(64)38(66-3) 21(11-50)76-47)69-7-6-25(54)78-39-23(13-52)74-44(68-5)31(60)28(39)57/h16-64H,6-15H2,1-5H3 |
| 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 |
|---|---|---|---|---|
| 1177.16 | 17 | 33 | 27 | 492.0 |
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 |