Analyte Name

1',6,6'-Trichloro Sucrose

CAS Number

40631-75-2

Molecular Formula

C12 H19 Cl3 O8

Molecular Weight

397.634

Accurate Mass

396.015

SMILES

O[C@H]1[C@H](O)[C@@H](CCl)O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@@H]1O

InChI

InChI=1S/C12H19Cl3O8/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,16-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1

IUPAC

(2R,3R,4S,5S,6S)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-6-(chloromethyl)oxane-3,4,5-triol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat