p-Nitrophenyl 2-Acetamido-6-O-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-Beta-D-glucopyranosyl)-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-Beta-D-galactopyranosyl)-Alpha-D-galactopyranoside

Analyte Name

p-Nitrophenyl 2-Acetamido-6-O-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)-alpha-D-galactopyranoside

Molecular Formula

C42H55N3O25

Molecular Weight

1001.89

Accurate Mass

1001.31

SMILES

O[C@@H]1[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)[C@@H](NC(C)=O)[C@@H](OC3=CC=C([N+]([O-])=O)C=C3)O[C@@H]1CO[C@H]4[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O4

InChI

InChI=1S/C42H55N3O25/c1-17(46)43-31-36(70-42-39(65-25(9)54)38(64-24(8)53)35(62-22(6)51)30(69-42)16-59-20(4)49)33(55)28(67-41(31)66-27-12-10-26(11-13-27)45(56)57)14-60-40-32(44-18(2)47)37(63-23(7)52)34(61-21(5)50)29(68-40)15-58-19(3)48/h10-13,28-42,55H,14-16H2,1-9H3,(H,43,46)(H,44,47)/t28-,29-,30-,31-,32-,33+,34-,35+,36-,37-,38+,39-,40-,41+,42+/m1/s1

IUPAC

(2R,3R,4S,5S,6R)-2-(((2R,3R,4R,5R,6R)-3-acetamido-6-((((2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-5-hydroxy-2-(4-nitrophenoxy)tetrahydro-2H-pyran-4-yl)oxy)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat