Biological Magnetic Resonance Data Bank

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

Alpha,beta Xylose Acetate

Alpha,beta Xylose Acetate synonyms

A + B Xylose Acetate


Graphical representations:


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Molecular Formula: C13H18O9

Natural Isotopic Abundance Mass: 318.27662

Mono-Isotopic Molecular Masses:

  • C12N14: 318.0950821767
  • C13N14: 331.1386950681
  • C12N15: 318.0950821767
  • C13N15: 331.1386950681

InChI string: InChI=1S/C13H18O9/c1-6(14)19-10-5-18-13(22-9(4)17)12(21-8(3)16)11(10)20-7(2)15/h10-13H,5H2,1-4H3/t10-,11+,12-,13+/m1/s1

USDA_NMR_database: 122

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,