Biological Magnetic Resonance Data Bank

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


Xylitol synonyms

Xylite (sugar); XYLITOL; Newtol; Xyliton; Kannit; Xylite; Klinit; Eutrit


Graphical representations:


View large 3D structure

Molecular Formula: C5H12O5

Natural Isotopic Abundance Mass: 152.1457800000

Mono-Isotopic Molecular Masses:

  • C12N14: 152.068473496
  • C13N14: 157.085247685
  • C12N15: 152.068473496
  • C13N15: 157.085247685

InChI string: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-

IUPAC: (2S,4R)-pentane-1,2,3,4,5-pentol

PubChem Compound (CID): 6912
KEGG Compound ID: C00379
CAS Registry number: 12426-00-5 37191-59-6 7313-55-5 75398-81-1 84709-42-2 87-99-0
ChEBI: 17151
EINECS: 201-788-0
NSC: 25283
Beilstein Handbook Reference: 4-01-00-02832
PDB Compound ID: XYL

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,