Basic information
- CAS
6983-36-4- Standard SMILES
CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
IBONACLSSOLHFU-JAJWTYFOSA-N- Molecular formula
- C8H15NO6
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.0899372
Names & identifiers
- Preferred name
- N-beta-D-Glucopyranosylacetamide
- IUPAC
- N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
Names & synonyms
N-beta-D-GlucopyranosylacetamideRefChem:8292991-N-ACETYL-BETA-D-GLUCOSAMINECHEMBL335315NBG2prjSCHEMBL4388634n-acetyl-b-d-glucopyranosylamineBDBM50240802DB02320Q63390521N-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetamide
Show more names
N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)acetamide
Database identifiers
- CAS
6983-36-4- PubChem CID
- 445382
- ChEMBL
CHEMBL335315- Nikkaji
- J687.948I
Properties
Computed structural properties
- XLogP
- -1.5
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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