Basic information
- CAS
68499-62-7- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=O)CBr)[C@@H](OC(C)=O)[C@H]1OC(C)=O- InChIKey
HFBHVAHHJGXCMR-YMILTQATSA-N- Molecular formula
- C16H22BrNO10
- Average molar mass
- 468.25 g/mol
- Monoisotopic mass
- 467.04271
Names & identifiers
- Preferred name
- N-bromoacetyl-beta-D-galactosamine tetra-O-acetate
- IUPAC
- [(2R,3R,4R,5R,6S)-3,4,6-triacetyloxy-5-[(2-bromoacetyl)amino]oxan-2-yl]methyl acetate
Names & synonyms
N-Bromoacetyl-beta-D-galactosamine tetra-O-acetate68499-62-7DTXSID80218621beta-D-Galactopyranose, 2-((bromoacetyl)amino)-2-deoxy-, 1,3,4,6-tetraacetateRefChem:163008DTXCID301411121,3,4,6-Tetra-O-acetyl-2-deoxy-2-(bromoacetamido)-beta-D-galactose[(2R,3R,4R,5R,6S)-3,4,6-triacetyloxy-5-[(2-bromoacetyl)amino]oxan-2-yl]methyl acetateCHEMBL3246471SCHEMBL29973770Galactose, 2-deoxy-2-(bromoacetamido)-1,3,4,6-tetra-O-acetyl-, beta-D-1,3,4,6-Tetra-O-acetyl-2-(2-bromoacetamido)-2-deoxy-beta-D-galactopyranose
Database identifiers
- CAS
68499-62-7- PubChem CID
- 198515
- DTXSID
DTXSID80218621- ChEMBL
CHEMBL3246471- Nikkaji
- J75.568K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 625
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…