disialyllacto-N-tetraose
Basic information
- CAS
61278-38-4- Standard SMILES
CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)[C@@H]2O)O[C@H](CO[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O- InChIKey
BTDPEAPRLHRFIA-VYZFFVDYSA-N- Molecular formula
- C48H79N3O37
- Average molar mass
- 1,290.1 g/mol
- Monoisotopic mass
- 1,289.4392404
Overview
prevents necrotising enterocolitis
Names & identifiers
- Preferred name
- disialyllacto-N-tetraose
- IUPAC
- (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,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
- English name
- Disialyl-lacto-N-tetraose
- Molecular formula
- C48H79N3O37
- Molecular weight
- 1290.14
Names & synonyms
9CM5FJZ8ARDTXSID801045136RefChem:920484DTXCID801527059(2S,4S,5R,6R)-2-(((2R,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6S)-2-((((2R,4S,5R,6R)-2-carboxy-5-acetamido-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)oxan-2-yl)oxy)methyl)-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)oxy)oxan-4-yl)oxy)-5-acetamido-3-hydroxyoxan-4-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy)-5-acetamido-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)oxane-2-carboxylic acid61278-38-4disialyllacto-N-tetraoseorb1942224HY-N11503CS-0648217T82545D-Glucose, O-(N-acetyl-alpha-neuraminosyl)-(2-->6)-O-[O-(N-acetyl-alpha-neuraminosyl)-(2-->3)-beta-D-galactopyranosyl-(1-->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-->3)-O-beta-D-galactopyranosyl-(1-->4)-
Show more names
DSLNTDISIALYL-LNT
Properties
Computed structural properties
- XLogP
- -13.7
- Topological polar surface area
- 656 Ų
- Hydrogen bond donors
- 24
- Hydrogen bond acceptors
- 37
- Rotatable bonds
- 29
- Heavy atoms
- 88
- Formal charge
- 0
- Complexity
- 2,300
Physicochemical properties
- Boiling point
- 1678.3 · 1678.3±65.0 °C(Predicted)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- form
- Solid
- pka
- 1.92 · 1.92±0.70(Predicted)
- color
- White to off-white
- FDA UNII
- 9 CM5FJZ8AR · 9CM5FJZ8AR
- HS Code
- 29400090 · 29400090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29400090
Chemistry & industry
Applications
UsesDisialyllacto-N-tetraose is a human milk oligosaccharide that prevents necrotising enterocolitis in neonatal rats[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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