N-Acetyl-9-O-(N-acetyl-beta-neuraminosyl)-neuraminic Acid

Analyte Name

N-Acetyl-9-O-(N-acetyl-beta-neuraminosyl)-neuraminic Acid

CAS Number

114608-45-6

Molecular Formula

C22 H36 N2 O17

Molecular Weight

600.524

Accurate Mass

600.201

SMILES

CC(=O)N[C@H]([C@H](O)CC(=O)C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO[C@@]1(C[C@H](O)C(NC(=O)C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(=O)O

InChI

InChI=1S/C22H36N2O17/c1-7(26)23-14(9(28)3-10(29)20(36)37)18(35)16(33)13(32)6-40-22(21(38)39)4-11(30)15(24-8(2)27)19(41-22)17(34)12(31)5-25/h9,11-19,25,28,30-35H,3-6H2,1-2H3,(H,23,26)(H,24,27)(H,36,37)(H,38,39)/t9-,11+,12-,13-,14-,15?,16-,17-,18-,19-,22-/m1/s1

IUPAC

(2R,4S,6R)-5-acetamido-2-[(2R,3S,4R,5R,6R)-5-acetamido-8-carboxy-2,3,4,6-tetrahydroxy-8-oxooctoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat