1',6,6'-Trichlorosucrose
2-[2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-6-(chloromethyl)oxane-3,4,5-triol
Also Known As: 1',6,6'-Trichlorosucrose|1',6,6'-Trichloro Sucrose|1',6,6'-Trichloro Sucrose|2-[2,5-bis(chloromethyl)-3,4-dihydroxy-oxolan-2-yl]oxy-6-(chloromethyl)oxane-3,4,5-triol|2-[2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-6-(chloromethyl)oxane-3,4,5-triol|6-Chloro-6-deoxy-1',6,6'-trichloro-1',6,6'-trideox ysucrose|1,6-Dichloro-1,6-dideoxyhex-2-ulofuranosyl 6-chloro-6-deoxyhexopyranoside|1 inverted exclamation mark ,6,6 inverted exclamation mark -Trichloro Sucrose|1,6-Dichloro-1,6-dideoxy-b-D-fructofuranosyl-6-chloro-6-deoxy-a-D-glucopyranoside
| Molecular Formula | C12H19Cl3O8 |
|---|---|
| Molecular Weight | 396.01456 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.01456 |
| Monoisotopic Mass | 396.01456 |
| Heavy Atoms | 23 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 40631-75-2 |
|---|---|
| SMILES | C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)O)Cl |
| InChIKey | BPQOIESVQZIMHQ-UHFFFAOYSA-N |
Product Overview
1',6,6'-Trichlorosucrose (CAS 40631-75-2), with molecular formula C12H19Cl3O8 and molecular weight 396.01456 g/mol. IUPAC: 2-[2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-6-(chloromethyl)oxane-3,4,5-triol.