Biological Magnetic Resonance Data Bank

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


Graphical representations:


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Molecular Formula: C5H10O5

Natural Isotopic Abundance Mass: 150.1299000000

Mono-Isotopic Molecular Masses:

  • C12N14: 150.052823432
  • C13N14: 155.069597621
  • C12N15: 150.052823432
  • C13N15: 155.069597621

InChI string: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1

IUPAC: (2S,3R,4S,5R)-oxane-2,3,4,5-tetrol

PubChem Compound (CID): 6027 135191
KEGG Compound ID: C00181
CAS Registry number: 133-56-2 141492-19-5 58-86-6
ChEBI: 15936
CCRIS: 1899
HSDB: 3273
Beilstein Handbook Reference: 4-01-00-04223
NSC: 122762
FEMA No.: 3606
EINECS: 200-400-7
PDB Compound ID: XYS

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,