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Chemical structure of Chitobiose Octaacetate

GC43238

Chitobiose Octaacetate

Also known as [(2R,3S,4R,5R)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,6-diacetyloxyoxan-2-yl]methyl acetate

Chitobiose is a dimer of β-1,4 linked glucosamine units derived from chitin, which, in turn, is a long chain polymer of N-acetylglucosamine that is a primary component of fungal cell walls and arthropod exoskeletons

ChemicalCAS41670-99-9MW676.6FormulaC28H40N2O17
CAS number
41670-99-9
Molecular weight
676.6
Formula
C28H40N2O17
Solubility
DMF： 20 mg/ml,DMSO： 20 mg/ml,DMSO：PBS(pH7·2) (1：1)： 0·5 mg/ml,Ethanol： 0·5 mg/ml
InChIKey
JUYKRZRMNHWQCD-NCBZWLQXSA-N
Catalogue number
GC43238
Brand
GLPBIO
Computed properties PubChem CID 11072451 · XLogP -1.8 · TPSA 244 Ų · H-bond donors 2
XLogP
-1.8
TPSA
244 Ų
H-bond donors
2
H-bond acceptors
17
Rotatable bonds
18
Heavy atoms
47

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

Computed descriptors from PubChem (CID 11072451), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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