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Chemical structure of 9AzNue5Ac

GC75461

9AzNue5Ac

Also known as (4S,5R,6R,7R,8R)-5-acetamido-9-azido-4,6,7,8-tetrahydroxy-2-oxononanoic acid

9AzNue5Ac, 9-azido-9-deoxy-N-acetylneuraminic acid, is a click chemistry reagent and a Neu5Ac analogue with the substitution of 9-hydroxyl group with an azide

ChemicalCAS76487-51-9MW334.28FormulaC11H18N4O8
CAS number
76487-51-9
Molecular weight
334.28
Formula
C11H18N4O8
Solubility
H2O： 62·5 mg/mL (186·97 mM; Need ultrasonic)
InChIKey
RCMJNJVGOFCOSP-BOHATCBPSA-N
Catalogue number
GC75461
Brand
GLPBIO
Computed properties PubChem CID 195944 · XLogP -2.6 · TPSA 179 Ų · H-bond donors 6
XLogP
-2.6
TPSA
179 Ų
H-bond donors
6
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
23

SMILES CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CN=[N+]=[N-])O)O)O

Computed descriptors from PubChem (CID 195944), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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