Octyl-d17 2-(Acetylamino)-2-deoxy-4-O-beta-D-galactopyranosyl-beta-D-glucopyranoside

Analyte Name

Octyl-d17 2-(Acetylamino)-2-deoxy-4-O-beta-D-galactopyranosyl-beta-D-glucopyranoside

Molecular Formula

C22 D17 H24 N O11

Molecular Weight

512.666

Accurate Mass

512.375

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(=O)C

InChI

InChI=1S/C22H41NO11/c1-3-4-5-6-7-8-9-31-21-15(23-12(2)26)17(28)20(14(11-25)33-21)34-22-19(30)18(29)16(27)13(10-24)32-22/h13-22,24-25,27-30H,3-11H2,1-2H3,(H,23,26)/t13-,14-,15-,16+,17-,18+,19-,20-,21-,22+/m1/s1/i1D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2

IUPAC

N-[(2R,3R,4R,5S,6R)-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctoxy)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat