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Chemical structure of Penta-N-acetylchitopentaose

GC44595

Penta-N-acetylchitopentaose

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

Root nodules, like those induced on the roots of leguminous plants by Rhizobium bacteria, are important sites for the conversion of atmospheric nitrogen into ammonia

ChemicalCAS36467-68-2MW1034FormulaC40H67N5O26
CAS number
36467-68-2
Molecular weight
1034
Formula
C40H67N5O26
Solubility
PBS (pH 7·2)： 1 mg/ml
InChIKey
DPTYILOGADPXRZ-RXDSZOQSSA-N
Catalogue number
GC44595
Brand
GLPBIO
Computed properties PubChem CID 71772155 · XLogP -11.5 · TPSA 479 Ų · H-bond donors 17
XLogP
-11.5
TPSA
479 Ų
H-bond donors
17
H-bond acceptors
26
Rotatable bonds
22
Heavy atoms
71

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]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)CO)CO)CO)CO)O)O

Computed descriptors from PubChem (CID 71772155), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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