BMRB

Biological Magnetic Resonance Data Bank


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

Xylitol

Xylitol synonyms

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

Wikipedia:

Graphical representations:

Xylitol image

Molecular Formula: C5 H12 O5

Natural Isotopic Abundance Mass: 152.1457800000

Mono-Isotopic Molecular Masses:

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

InCHi String:

isomeric SMILES: C([C@@H](C([C@@H](CO)O)O)O)O

canonical SMILES: C(C(C(C(CO)O)O)O)O

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

IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
pentane-1,2,3,4,5-pentol

PubChem Substance (SID):   111677726   149920   3669
PubChem Compound (CID):   6912
KEGG: Compound ID   C00379
CAS Registry IDs:   12426-00-5   37191-59-6   7313-55-5   75398-81-1   84709-42-2   87-99-0
PDB Chemical Component   XYL
Miscellaneous Databases and IDs:   CHEBI 17151   EINECS 201-788-0   NSC 25283   Beilstein Handbook Reference 4-01-00-02832

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.