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Chemical structure of 6'-Sialyllactose

GC68576

6'-Sialyllactose

Also known as (2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid

6'-Sialyllactose is a sialylated human milk oligosaccharide that can promote the growth of bifidobacteria and shape the gut microbiota· It also inhibits toll-like receptor 4 signaling and prevents the development of necrotizing enterocolitis

ChemicalCAS35890-39-2MW633.55FormulaC23H39NO19
CAS number
35890-39-2
Molecular weight
633.55
Formula
C23H39NO19
Solubility
H2O ： ≥ 50 mg/mL (78·92 mM)
InChIKey
VMWYCXKMRSTDSP-GIGDJUIZSA-N
Catalogue number
GC68576
Brand
GLPBIO
Computed properties PubChem CID 643987 · XLogP -8 · TPSA 343 Ų · H-bond donors 13
XLogP
-8
TPSA
343 Ų
H-bond donors
13
H-bond acceptors
19
Rotatable bonds
15
Heavy atoms
43

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

Computed descriptors from PubChem (CID 643987), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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