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Chemical structure of 3'-Sialyllactose (sodium salt)

GC42312

3'-Sialyllactose (sodium salt)

Also known as sodium (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

3'-Sialyllactose consists of the monosaccharide N-acetylneuraminic acid linked to the galactosyl subunit of lactose at the 3 position

ChemicalCAS128596-80-5MW655.5FormulaC23H38NO19•Na
CAS number
128596-80-5
Molecular weight
655.5
Formula
C23H38NO19•Na
Solubility
DMSO： 6·6 mg/ml,PBS (pH 7·2)： 10 mg/ml
InChIKey
LTWFUJWFLMHANB-TZCPRLTCSA-M
Catalogue number
GC42312
Brand
GLPBIO
Computed properties PubChem CID 71308479 · TPSA 346 Ų · H-bond donors 12 · H-bond acceptors 19
TPSA
346 Ų
H-bond donors
12
H-bond acceptors
19
Rotatable bonds
15
Heavy atoms
44

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-])O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O.[Na+]

Computed descriptors from PubChem (CID 71308479), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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