Analyte Name

Phenylmethyl O-(N-acetyl-alpha-neuraminosyl)-(2-3)-O-beta-D-galactopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-alpha-D-Glucopyranoside

Molecular Formula

C32 H48 N2 O20

Molecular Weight

780.725

Accurate Mass

780.28

SMILES

CC(=O)CN[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC3O[C@@H]([C@@H](O)[C@@H](O)CO)C(NC(=O)O)[C@@H](O)[C@H]3C(=O)O)[C@H]2O)[C@@H](CO)OC1OCc4ccccc4

InChI

InChI=1S/C32H48N2O20/c1-12(38)7-33-19-23(43)25(16(10-37)51-30(19)49-11-13-5-3-2-4-6-13)52-31-24(44)27(21(41)15(9-36)50-31)54-29-17(28(45)46)22(42)18(34-32(47)48)26(53-29)20(40)14(39)8-35/h2-6,14-27,29-31,33-37,39-44H,7-11H2,1H3,(H,45,46)(H,47,48)/t14-,15+,16+,17-,18?,19+,20-,21-,22-,23+,24+,25+,26+,27-,29?,30?,31-/m0/s1

IUPAC

(3R,4S,6R)-5-(carboxyamino)-2-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-2-[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-oxopropylamino)-6-phenylmethoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-3-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat