Analyte Name

Phenylmethyl O-(N-Acetyl-alpha-neuraminosyl)-3-O-(beta-D-galactopyranosyl)-4-[2-(acetylamino)-2-deoxy]-beta-D-glucopyranoside

CAS Number

176166-22-6

Molecular Formula

C32H48N2O19

Molecular Weight

764.73

Accurate Mass

764.29

SMILES

O([C@@]1(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C1)[H])[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](CO)O[C@@H](OCC4=CC=CC=C4)[C@H](NC(C)=O)[C@H]3O)O[C@H](CO)[C@@H]2O

InChI

InChI=1S/C32H48N2O19/c1-13(38)33-20-16(40)8-32(31(46)47,52-27(20)22(42)17(41)9-35)53-28-23(43)18(10-36)49-30(25(28)45)51-26-19(11-37)50-29(21(24(26)44)34-14(2)39)48-12-15-6-4-3-5-7-15/h3-7,16-30,35-37,40-45H,8-12H2,1-2H3,(H,33,38)(H,34,39)(H,46,47)/t16-,17+,18+,19+,20+,21+,22+,23-,24+,25+,26+,27+,28-,29+,30-,32-/m0/s1

IUPAC

(2S,4S,6R)-5-acetamido-2-(((2S,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6R)-5-acetamido-6-(benzyloxy)-4-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat