2-Acetamido-4-O-(2-acetamido-2-deoxy-Beta-D-glucopyranosyl)-1,6-di-O-N-acetyl-Alpha-D-muramic Acid

Analyte Name

2-Acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-1,6-di-O-N-acetyl-alpha-D-muramic Acid

CAS Number

475502-13-7

Molecular Formula

C29 H42 N2 O18

Molecular Weight

706.65

Accurate Mass

706.243

SMILES

CC(O[C@@H]1[C@@H](NC(=O)C)[C@@H](OC(=O)C)O[C@H](COC(=O)C)[C@H]1O[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2NC(=O)C)C(=O)O

InChI

InChI=1S/C29H42N2O18/c1-11(27(39)40)43-25-21(30-12(2)32)28(46-18(8)38)47-20(10-42-15(5)35)24(25)49-29-22(31-13(3)33)26(45-17(7)37)23(44-16(6)36)19(48-29)9-41-14(4)34/h11,19-26,28-29H,9-10H2,1-8H3,(H,30,32)(H,31,33)(H,39,40)/t11?,19-,20-,21-,22-,23-,24-,25-,26-,28+,29+/m1/s1

IUPAC

2-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-2-acetoxy-6-(acetoxymethyl)tetrahydropyran-4-yl]oxypropanoic acid

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat