Basic information
- CAS
14131-60-3- Standard SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O- InChIKey
OVRNDRQMDRJTHS-JAJWTYFOSA-N- Molecular formula
- C8H15NO6
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.0899372
Overview
N-acetyl-beta-D-galactosamine is an N-acetyl-D-galactosamine having beta-configuration at the anomeric centre. It has a role as an epitope.
Names & identifiers
- Preferred name
- N-acetyl-beta-D-galactosamine
- IUPAC
- N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- English name
- 2-(acetylamino)-2-deoxy-b-D-galactopyranose
- Molecular formula
- C8H15NO6
- Molecular weight
- 221.21
Names & synonyms
N-Acetyl-beta-D-galactosaminebeta-GalNAcCHEBI:28497RefChem:6910GlyTouCan:G61418DUG61418DU217-321-914131-60-3beta-N-Acetyl-D-galactosamineKM15WK8O5TN-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide2-acetamido-2-deoxy-beta-D-galactopyranose
Show more names
RMA-4982-(Acetylamino)-2-deoxy-β-D-galactopyranose2-acetamido-2-deoxy-beta-D-galactofuranosideβ-D-Galactopyranose, 2-(acetylamino)-2-deoxy-
2-(acetylamino)-2-deoxy-b-D-galactopyranose130851-15-9UNII-KM15WK8O5TN-Acetyl-b-D-galactosamineEINECS 217-321-9N-((2R,3R,4R,5R,6R)-2,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide147995-09-3ACETYLGALACTOSAMINE
Database identifiers
- CAS
14131-60-3- PubChem CID
- 440552
- DTXSID
DTXSID601260928- ChEMBL
CHEMBL39064- ChEBI
CHEBI:28497- UNII
- KM15WK8O5T
- Nikkaji
- J1.797.265K
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
Physical DescriptionSolid
Collision Cross Section151.4 Ų [M+K]+
Physicochemical properties
- Boiling point
- 595.4 · 595.4±50.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 12.04 · 12.04±0.70(Predicted)
- FDA UNII
- 15 WK8O5T · KM15WK8O5T
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
广州麦克斯药物研究有限公司13405898415 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Additional notes
DefinitionChEBI: N-acetyl-beta-D-galactosamine is an N-acetyl-D-galactosamine having beta-configuration at the anomeric centre. It has a role as an epitope.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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