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Structure

N,N'-Diacetyl-3,6,3',4',6'-penta-O-acetyl-1-chlorochitobioside

CAS
7531-49-9
Catalog Number
ACM7531499
Category
Other Products
Molecular Weight
653.03
Molecular Formula
C26H37ClN2O15

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Specification

Synonyms
2-(Acetylamino)-2-deoxy-4-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-α-D-glucopyranosyl Chloride 3,6-Diacetate; 2-Acetamido-4-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-glucopyranosyl Chloride 3,3',4',6,6'-Pentaacetate;
IUPAC Name
[(3S,6S)-5-acetamido-6-[(3S,6R)-5-acetamido-4-acetyloxy-2-(acetyloxymethyl)-6-chlorooxan-3-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate
Canonical SMILES
CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2OC(=O)C)NC(=O)C)Cl)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C
InChI Key
ZIRWPGALWMJCOT-PIXUPOCSSA-N
Appearance
White Solid
Exact Mass
652.18800
H-Bond Acceptor
15
H-Bond Donor
2
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