Basic information
- CAS
93601-73-1- Standard SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]1O- InChIKey
ACKXCNXSQYSCQN-DVOZRKJFSA-N- Molecular formula
- C14H25NO11
- Average molar mass
- 383.35 g/mol
- Monoisotopic mass
- 383.14276061
Overview
Beta-D-Galp-(1->6)-beta-D-GalpNAc is an amino disaccharide consisting of a beta-D-galactopyranose residue and a 2-acetamido-2-deoxy-beta-D-galactopyranose residue joined in sequence by a (16) glycosidic bond. It is an amino disaccharide and a glycosylgalactose. It is functionally related to a beta-D-galactose and a N-acetyl-beta-D-galactosamine.
Names & identifiers
- Preferred name
- 2-acetamido-2-deoxy-6-O-beta galactopyranosylgalactopyranose
- IUPAC
- N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide
- English name
- 2-acetamido-2-deoxy-6-O-beta galactopyranosylgalactopyranose
- Molecular formula
- C14H25NO11
- Molecular weight
- 383.35
Names & synonyms
ADFF2-Acetamido-2-deoxy-6-O-beta galactopyranosylgalactopyranose93601-73-12-Acetamido-2-deoxy-6-O-beta-D-galactopyranosyl-D-galactopyranosebeta-D-Galactopyranose, 2-(acetylamino)-2-deoxy-6-O-beta-D-galactopyranosyl-, (3alpha,5beta,7alpha,12alpha,24xi)-RefChem:909463GlyTouCan:G68491QDG68491QDGal(b1-6)b-GalNAcSCHEMBL29350647DTXSID60918293CHEBI:153119
Show more names
2-Deoxy-6-O-hexopyranosyl-2-[(1-hydroxyethylidene)amino]hexopyranose2-Deoxy-6-O-beta-D-galactopyranosyl-2-[(1-hydroxyethylidene)amino]-beta-D-galactopyranosebeta-D-galacto-hexopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranoseWURCS=2.0/2,2,1/[a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2/a6-b1
Database identifiers
- CAS
93601-73-1- PubChem CID
- 196597
- DTXSID
DTXSID60918293
Properties
Computed structural properties
- XLogP
- -4.7
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Boiling point
- 800.286 · 800.286±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.645 · 1.645±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.011 · 12.011±0.70(predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Beta-D-Galp-(1->6)-beta-D-GalpNAc is an amino disaccharide consisting of a beta-D-galactopyranose residue and a 2-acetamido-2-deoxy-beta-D-galactopyranose residue joined in sequence by a (1->6) glycosidic bond. It is an amino disaccharide and a glycosylgalactose. It is functionally related to a N-acetyl-beta-D-galactosamine and a beta-D-galactose.
Related reactions
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Compound notes
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