Analyte Name

D-(+)-Raffinose Deuterated

Molecular Formula

C18H32O16

Molecular Weight

504.44

Accurate Mass

504.17

SMILES

O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)OC[C@H]2O[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O[C@@]3(O[C@H](CO)[C@@H](O)[C@@H]3O)CO)O)O

InChI

InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1

IUPAC

(2R,3R,4S,5S,6R)-2-(((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-6-((((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triol

Country of Origin

CANADA

Product Format

Neat