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Chemical structure of Disialyllacto-N-tetraose

GC76274

Disialyllacto-N-tetraose

Also known as (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Disialyllacto-N-tetraose is a human milk oligosaccharide that prevents necrotising enterocolitis in neonatal rats

ChemicalCAS61278-38-4MW1290.14FormulaC48H79N3O37
CAS number
61278-38-4
Molecular weight
1290.14
Formula
C48H79N3O37
InChIKey
FCIROHDMPFOSFG-LAVSNGQLSA-N
Catalogue number
GC76274
Brand
GLPBIO
Computed properties PubChem CID 3085216 · XLogP -13.4 · TPSA 648 Ų · H-bond donors 24
XLogP
-13.4
TPSA
648 Ų
H-bond donors
24
H-bond acceptors
37
Rotatable bonds
25
Heavy atoms
88

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]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H](OC([C@@H]([C@H]4O)O)O)CO)CO)O)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O

Computed descriptors from PubChem (CID 3085216), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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