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Chemical structure of Tetra-N-acetylchitotetraose

GC61327

Tetra-N-acetylchitotetraose

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

Tetra-N-acetylchitotetraose elicits plant defense systems

ChemicalCAS2706-65-2MW830.79FormulaC32H54N4O21
CAS number
2706-65-2
Molecular weight
830.79
Formula
C32H54N4O21
InChIKey
QWBFSMSGJPCHBW-PNWIGLAMSA-N
Catalogue number
GC61327
Brand
GLPBIO
Computed properties PubChem CID 3081988 · XLogP -8.2 · TPSA 391 Ų · H-bond donors 14
XLogP
-8.2
TPSA
391 Ų
H-bond donors
14
H-bond acceptors
21
Rotatable bonds
18
Heavy atoms
57

SMILES CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H](C=O)NC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)CO)O)O

Computed descriptors from PubChem (CID 3081988), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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