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Chemical structure of 3-O-methyl-N-acetyl-D-Glucosamine

GC42308

3-O-methyl-N-acetyl-D-Glucosamine

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

3-O-methyl-N-acetyl-D-Glucosamine (3-O-methyl-GlcNAc) is a competitive inhibitor of N-acetylglucosamine kinase and a non-competitive inhibitor of N-acetylmannosamine kinase (Kis = 17 and 80 μM in rat liver, respectively, in vitro)

ChemicalCAS94825-74-8MW235.2FormulaC9H17NO6
CAS number
94825-74-8
Molecular weight
235.2
Formula
C9H17NO6
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,PBS (pH 7·2)： 1 mg/ml
InChIKey
SXGSBXSSPNINRW-VARJHODCSA-N
Catalogue number
GC42308
Brand
GLPBIO
Computed properties PubChem CID 53230018 · XLogP -2.1 · TPSA 108 Ų · H-bond donors 4
XLogP
-2.1
TPSA
108 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
16

SMILES CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)OC

Computed descriptors from PubChem (CID 53230018), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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