Chitotriose Undecaacetate

Analyte Name

Chitotriose Undecaacetate

CAS Number

53942-45-3

Molecular Formula

C40 H57 N3 O24

Molecular Weight

963.89

Accurate Mass

963.3332

SMILES

CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](COC(=O)C)OC(OC(=O)C)[C@H](NC(=O)C)[C@H]2OC(=O)C)O[C@H](COC(=O)C)[C@@H](O[C@@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3NC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C40H57N3O24/c1-15(44)41-29-36(60-23(9)52)33(27(13-56-19(5)48)63-38(29)62-25(11)54)66-40-31(43-17(3)46)37(61-24(10)53)34(28(65-40)14-57-20(6)49)67-39-30(42-16(2)45)35(59-22(8)51)32(58-21(7)50)26(64-39)12-55-18(4)47/h26-40H,12-14H2,1-11H3,(H,41,44)(H,42,45)(H,43,46)/t26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38?,39+,40+/m1/s1

IUPAC

[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-acetyloxyoxan-2-yl]methyl acetate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

Impurity Type

Intermediate

Purity

>95% (HPLC)