Molecule record

xylitol

C5H12O5

152.15 g/mol

2D structure for xylitol

Molecular properties

Formula
C5H12O5
Molar mass
152.15 g·mol−1
Exact mass
152.0685 Da
0
5
5
101.00 Ų
-2.5 (PubChem computed XLogP3-AA descriptor)
CAS
488-81-3
PubChem CID
6912

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alcohol

Physical properties

PropertyValueConditionsSource
Logp-2.5PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • (2S,4R)-pentane-1,2,3,4,5-pentol
  • 1,2,3,4,5-pentanepentol
  • 488-81-3
  • 87-99-0
  • Adonit
  • Adonite
  • D-Xylitol
  • D-ribitol
Show all 23 synonyms
  • Eutrit
  • G06874YZ
  • GlyTouCan:G06874YZ
  • Kannit
  • Klinit
  • Kylit
  • Newtol
  • RefChem:934805
  • Xylit
  • Xylite
  • Xylite (sugar)
  • Xyliton
  • adonitol
  • meso-ribitol
  • ribitol

Structure identifiers

Canonical SMILES
C([C@H](C([C@H](CO)O)O)O)O
Isomeric SMILES
C([C@H](C([C@H](CO)O)O)O)O
InChI
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?
InChIKey
HEBKCHPVOIAQTA-NGQZWQHPSA-N
PubChem CID
6912

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for xylitol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for xylitol; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

simulated IR

ChemForge original educational simulation.

Open source record