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Chemical structure of N-Acetylchitohexaose

GC43822

N-Acetylchitohexaose

Also listed as Hexa-N-acetylchitohexaose

Hexa-N-acetylchitohexaose is a hexamer of N-acetylglucosamine, a subunit of the natural polymer chitin

ChemicalCAS38854-46-5MW1237.2FormulaC48H80N6O31
CAS number
38854-46-5
Molecular weight
1237.2
Formula
C48H80N6O31
Solubility
10mg/mL in PBS, pH 7·2
InChIKey
FUHDMRPNDKDRFE-LPUYKFNUSA-N
Catalogue number
GC43822
Brand
GLPBIO
Computed properties PubChem CID 197182 · XLogP -13.6 · TPSA 567 Ų · H-bond donors 20
XLogP
-13.6
TPSA
567 Ų
H-bond donors
20
H-bond acceptors
31
Rotatable bonds
26
Heavy atoms
85

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]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)NC(=O)C)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)CO)CO)CO)CO)CO)O)O

Computed descriptors from PubChem (CID 197182), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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