Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Methyl N-acetyl-alpha-D-glucosaminide

Graphical representations:


View large 3D structure

Molecular Formula: C9H17NO6

Natural Isotopic Abundance Mass: 235.2343800000

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1/f/h10H

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

PubChem Compound (CID): 96523
CAS Registry number: 6082-04-8
NSC: 77914

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,