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Product Overview

Product Code

TRC-T276500

CAS Number

2706-65-2

Product Format

Neat

Molecular Formula

C32 H54 N4 O21

Molecular Weight

830.79

API Family

Oligosaccharides

Product Categories

Oligosaccharides, TRC, Additional Cancer Bioactive Molecules, Impurity Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

N,N',N'',N'''-Tetraacetylchitotetraose

CAS Number

2706-65-2

Molecular Formula

C32 H54 N4 O21

Molecular Weight

830.79

Accurate Mass

830.3281

SMILES

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

InChI

InChI=1S/C32H54N4O21/c1-10(42)33-14(5-37)22(47)27(15(46)6-38)55-31-20(35-12(3)44)25(50)29(17(8-40)53-31)57-32-21(36-13(4)45)26(51)28(18(9-41)54-32)56-30-19(34-11(2)43)24(49)23(48)16(7-39)52-30/h5,14-32,38-41,46-51H,6-9H2,1-4H3,(H,33,42)(H,34,43)(H,35,44)(H,36,45)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-/m0/s1

IUPAC

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Oligosaccharides

Product Description

Prepared by acetolysis of chitin. Studies have shown this compound to have anti tumor effects.

References: Barker, S.A., et al.: J. Chem. Soc., 2218 (1958); Suzuki, K., et al.: Carbohydrate Research, 151, 403 (1986)

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N,N’,N’’,N’’’-Tetraacetylchitotetraose

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