Basic information
- CAS
157296-99-6- Standard SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](COS(=O)(=O)O)O[C@H]1O- InChIKey
WJFVEEAIYIOATH-JAJWTYFOSA-N- Molecular formula
- C8H15NO9S
- Average molar mass
- 301.27 g/mol
- Monoisotopic mass
- 301.04675223
Overview
N-acetyl-beta-D-galactosamine 6-sulfate is a galactosamine sulfate that is N-acetyl-beta-D-galactosamine in which the hydroxy group at position 6 has been converted into its sulfate derivative. It is a conjugate acid of a N-acetyl-beta-D-galactosamine 6-sulfate(1-).
Names & identifiers
- Preferred name
- N-Acetyl-D-galactosamine 6-sulfate
- IUPAC
- [(2R,3R,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl hydrogen sulfate
Names & synonyms
N-Acetyl-D-galactosamine 6-sulfatebeta-D-GalpNAc6S2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranoseN-acetyl-beta-D-galactosamine 6-sulfate2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-galactopyranoseCHEBI:44395DTXSID00331482RefChem:162580GlyTouCan:G98627TXDTXCID50282576G98627TX157296-99-6
Show more names
[(2R,3R,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl hydrogen sulfateNG6WJFVEEAIYIOATH-JAJWTYFOSA-NDB02186NS00069788C04255Q27093241
Database identifiers
- CAS
157296-99-6- PubChem CID
- 440271
- DTXSID
DTXSID00331482- ChEBI
CHEBI:44395- Nikkaji
- J2.747.879D
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 418
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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