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Chemical structure of N,N',N''-Triacetylchitotriose

GC44271

N,N',N''-Triacetylchitotriose

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

N,N',N''-Triacetylchitotriose is a triose oligosaccharide derived from chitin, consisting of three N-acetylglucosamine units

ChemicalCAS38864-21-0MW627.6FormulaC24H41N3O16
CAS number
38864-21-0
Molecular weight
627.6
Formula
C24H41N3O16
Solubility
DMF： 20 mg/ml,DMSO： 15 mg/ml,PBS (pH 7·2)： 3 mg/ml
InChIKey
LRDDKCYRFNJZBX-WHFMPQCRSA-N
Catalogue number
GC44271
Brand
GLPBIO
Computed properties PubChem CID 123774 · XLogP -7.2 · TPSA 303 Ų · H-bond donors 11
XLogP
-7.2
TPSA
303 Ų
H-bond donors
11
H-bond acceptors
16
Rotatable bonds
14
Heavy atoms
43

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

Computed descriptors from PubChem (CID 123774), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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