Biological Magnetic Resonance Data Bank

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


Xylan synonyms



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Molecular Formula: C5H10O6

Natural Isotopic Abundance Mass: 166.1293

Mono-Isotopic Molecular Masses:

  • C12N14: 166.0477380536
  • C13N14: 171.0645122426
  • C12N15: 166.0477380536
  • C13N15: 171.0645122426

InChI string: InChI=1S/C5H10O6/c6-1-2(7)4(9)11-5(10)3(1)8/h1-10H/t1-,2-,3+,4-,5+

USDA_NMR_database: 30

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,