BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Methyl N-acetyl-alpha-D-glucosaminide

Graphical representations:

Methyl N-acetyl-alpha-D-glucosaminide image

Molecular Formula: C9 H17 N O6

Natural Isotopic Abundance Mass: 235.2343800000

Mono-Isotopic Molecular Masses:

  • C12N14: 235.105587284
  • C13N14: 244.135780824
  • C12N15: 236.102622177
  • C13N15: 245.1328157169

InCHi String:

isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O

canonical SMILES: CC(=O)NC1C(C(C(OC1OC)CO)O)O

IUPAC
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]acetamide

IUPAC traditional
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-methoxy-6-methylol-tetrahydropyran-3-yl]acetamide

IUPAC cas: IUPAC openeye
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3-yl]acetamide

IUPAC systematic
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]ethanamide

PubChem Substance (SID):   85165015   673727
PubChem Compound (CID):   96523
KEGG: Compound ID   n/a
CAS Registry IDs:   6082-04-8
PDB Chemical Component   MGC
Miscellaneous Databases and IDs:   NSC 77914

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.