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Chemical structure of N,N'-Diacetylchitobiose

GC61104

N,N'-Diacetylchitobiose

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

N,N'-Diacetylchitobiose is a dimer of β(1,4) linked N-acetyl-D glucosamine

ChemicalCAS35061-50-8MW424.4FormulaC16H28N2O11
CAS number
35061-50-8
Molecular weight
424.4
Formula
C16H28N2O11
Solubility
H2O ： 125 mg/mL (294·53 mM; Need ultrasonic)
InChIKey
PLJAKLUDUPBLGD-VLWZLFBZSA-N
Catalogue number
GC61104
Brand
GLPBIO
Computed properties PubChem CID 160244 · XLogP -5 · TPSA 215 Ų · H-bond donors 8
XLogP
-5
TPSA
215 Ų
H-bond donors
8
H-bond acceptors
11
Rotatable bonds
10
Heavy atoms
29

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

Computed descriptors from PubChem (CID 160244), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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