Basic information
- Standard SMILES
CC(=O)N[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)CO- InChIKey
DWAICOVNOFPYLS-OSMVPFSASA-N- Molecular formula
- C8H17NO6
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.10558726
Overview
N-acetyl-D-galactosaminitol is a 2-deoxyhexitol derivative that is galactitol in which the 2-hydroxy substituent is replaced by an acetamido group.
Names & identifiers
- Preferred name
- N-Acetylgalactosaminitol
- IUPAC
- N-[(2S,3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]acetamide
- English name
- 2-Acetamido-2-deoxy-D-galactitol
- Molecular formula
- C8H17NO6
- Molecular weight
- 223.22
Names & synonyms
N-Acetylgalactosaminitol10486-91-6DTXSID20146792RefChem:638641GlyTouCan:G61406KCDTXCID7069283G61406KCN-Acetyl-D-galactosaminitol2-Acetamido-2-deoxy-D-galactitolGalNAc-olN-[(2S,3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]acetamideHPG-Beta2-N1
Show more names
CHEBI:53480Epitope ID:118701SCHEMBL4830218D-Galactitol, 2-(acetylamino)-2-deoxy-Q27124067
Database identifiers
- CAS
10486-91-6- PubChem CID
- 165880
- DTXSID
DTXSID20146792- ChEBI
CHEBI:53480- Nikkaji
- J740.214G
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 174 · 174-176 °C
- Boiling point
- 656.5 · 656.5±55.0 °C(Predicted)
- Density
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- pka
- 13.36 · 13.36±0.20(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
Additional notes
DefinitionChEBI: A 2-deoxyhexitol derivative that is galactitol in which the 2-hydroxy substituent is replaced by an acetamido group.
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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