chempirical

Xylitol

C5H12O5CAS 87-99-0152.15 g/mol

Open in Covalent MOL file
OHOHOHOHHO
Alcohol

Properties

Molecular formula
C5H12O5
Molar mass
152.15 g/mol
Exact mass
152.0685 Da
Melting point
93.5 °C
Boiling point
216 °C
logP
-2.95Crippen estimate
Polar surface area
101.2 Ų
H-bond donors / acceptors
5 / 5
Rotatable bonds
4
Stereocentres
R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
87-99-0
SMILES
C([C@H](C([C@H](CO)O)O)O)O
InChIKey
HEBKCHPVOIAQTA-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

27 names · show all
  • Xylite (sugar)
  • Xylite
  • Klinit
  • Xyliton
  • Kylit
  • Wood sugar alcohol
  • Xylisorb
  • Xylitol C
  • Xylitol CM 90
  • Xylit
  • NSC 25283
  • Xylitab 100
  • Xylitab DC
  • Xylisorb 300
  • Xylisorb 700
  • Xylitab 300
  • C-Xylidex CR 16055
  • Xylit XC
  • Fluorette
  • DL-Xylitol
  • meso-Xylitol
  • Eutrit
  • Xylo-Pentitol
  • Xylitol P
  • X 0018
  • Xylite P
  • Xivia CM 90

Work with Xylitol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Arabitol7643-75-6Diastereomer D-Arabitol488-82-4Diastereomer Ribitol488-81-3Stereoisomer

Similar compounds

Sorbitol50-70-487 % similar Galactitol608-66-287 % similar Mannitol69-65-887 % similar DL-Mannitol87-78-587 % similar Erythritol149-32-667 % similar L-Threitol2319-57-567 % similar Threitol2418-52-267 % similar Glucamine488-43-762 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia