Basic information
- CAS
115114-32-4- Standard SMILES
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O- InChIKey
QOITYCLKNIWNMP-QDRCFXCOSA-N- Molecular formula
- C20H35NO16
- Average molar mass
- 545.5 g/mol
Overview
Beta-D-Galp-(1->4)-beta-D-Galp-(1->4)-D-GlcpNAc is an amino trisaccharide comprised of two beta-D-galactose residues linked (14), with the one at the reducing end being linked (14) to an N-acetyl-D-glucosamine residue. It is a glucosamine oligosaccharide and an amino trisaccharide.
Names & identifiers
- Preferred name
- beta-D-Galp-(1->4)-beta-D-Galp-(1->4)-D-GlcpNAc
- IUPAC
- N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- English name
- 2-Acetamido-2-deoxy-4-O-([4-O-beta-D-galactopyranosyl]-beta-D-galactopyranosyl)-D-glucopyranose
- Molecular formula
- C20H35NO16
- Molecular weight
- 545.49
Names & synonyms
beta-D-Galp-(1->4)-beta-D-Galp-(1->4)-D-GlcpNAcCHEBI:71450beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranoseRefChem:623832GlyTouCan:G55738TQG55738TQbetaLacNAc115114-32-42-Acetamido-2-deoxy-4-O-([4-O-b-D-galactopyranosyl]-b-D-galactopyranosyl)-D-glucopyranoseN-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamidebeta-D-Gal-(1->4)-beta-D-Gal-(1->4)-D-GlcNAc2-Acetamido-2-deoxy-4-O-([4-O-beta-D-galactopyranosyl]-beta-D-galactopyranosyl)-D-glucopyranose
Show more names
β-D-Gal-(1→4)-β-D-Gal-(1→4)-D-GlcNAc4'beta-galactosyl-N-acetyllactosamine2-Acetamido-2-deoxy-4-O-([4-O-β-D-galactopyranosyl]-β-D-galactopyranosyl)-D-glucopyranoseD-Glucopyranose, O-β-D-galactopyranosyl-(1→4)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-
Properties
Computed structural properties
- XLogP
- -6.9
- Topological polar surface area
- 278 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 747
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- 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
Suppliers3 total
BOC Sciences16314854226 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: Beta-D-Galp-(1->4)-beta-D-Galp-(1->4)-D-GlcpNAc is an amino trisaccharide comprised of two beta-D-galactose residues linked (1->4), with the one at the reducing end being linked (1->4) to an N-acetyl-D-glucosamine residue. It is an amino trisaccharide and a glucosamine oligosaccharide.
Related reactions
0 records
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Compound notes
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