| Pubchem ID | 24847850 |
|---|---|
| CAS | 63798-35-6 |
| IUPAC name | 6-O-[2-[6-[5-acetyloxy-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-2- [[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-6- (hydroxymethyl)-5-methoxyoxan-3-yl] 1-O-[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hexanedioate |
| Synonyms | Starch, acetate hexanedioate | Acetyl di-starch adipate | Acetylated distarch adipate | Starch acetate hexanedioate | Distarch adipate, acetylated |
| Categories | Dough conditioning agent |
| 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)OC(=O) CCCCC(=O)OC5C(OC(C(C5O)O)OC)CO)O)O)O)OC(=O)C |
| InCheykey | InChI=1S/C42H70O29/c1-15-32(63-16(2)47)30(56)36(19(12-45)62-15)70-41-29(55)26(52)37 (21(67-41)14-61-40-28(54)24(50)33(58-3)17(10-43)65-40)71-42-38(31(57)34(59-4)18(11-44)66-42) 69-23(49)9-7-6-8-22(48)68 -35-20(13-46)64-39(60-5)27(53)25(35)51/h15,17-21,24-46,50-57H,6-14H2,1-5H3 |
| 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 |
|---|---|---|---|---|
| 1038.99 | 12 | 29 | 25 | 423.0 |
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 | Very 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 | Non-Irritant | Degradable |