Gal1-beta-4GlcNAc1-beta-6Gal
Basic information
- CAS
20331-45-7- Standard SMILES
CC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O- InChIKey
FINWNSIISOYJME-XKTMXJHTSA-N- Molecular formula
- C20H35NO16
- Average molar mass
- 545.5 g/mol
Names & identifiers
- Preferred name
- Gal1-beta-4GlcNAc1-beta-6Gal
- IUPAC
- N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
- English name
- 6-O-[2-Acetamido-2-deoxy-4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]-D-galactopyranose
- Molecular formula
- C20H35NO16
- Molecular weight
- 545.49
Names & synonyms
orb2941382Gal1-beta-4GlcNAc1-beta-6GalTSW-00650HY-W706304Gal1--4GlcNAc1--6GalGal-b-4GlcNAc1-b-6GalGal1-β-4GlcNAc1-β-6GalGal1-b-4GlcNAc1-b-6GalGal1-β-4GlcNAc1-β-6Gal, CAS 20331-45-7BETA-D-GAL-[1->4]-BETA-D-GLCNAC-[1->6]-D-GAL6-O-[2-Acetamido-2-deoxy-4-O-(β-D-galactopyranosyl)-β-D-glucopyranosyl]-D-galactopyranose6-O-[2-ACETAMIDO-2-DEOXY-4-O-(SS-D-GALACTOPYRANOSYL) -SS-D-GLUCOPYRANOSYL]-D-GALACTOPYRANOSE
Show more names
D-Galactose, O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)-
Database identifiers
- CAS
20331-45-7
Properties
Computed structural properties
- XLogP
- -7.2
- Topological polar surface area
- 285 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 730
Physicochemical properties
- Boiling point
- 1022.4 · 1022.4±65.0 °C(Predicted)
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- pka
- 12.45 · 12.45±0.20(Predicted)
Chemistry & industry
Applications
UsesAcceptor for recombinant α3-fucosyltransferase V (Fuc-TV).
Additional notes
DefinitionChEBI: Beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)-D-Gal is an amino trisaccharide consisting of an N-acetyl-D-glucosamine flanked by two D-galactose residues in a linear sequence with (1->4) and (1->4) linkages. It is an amino trisaccharide and a glucosamine oligosaccharide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…