Molecule record

mannitol

C6H14O6

182.17 g/mol

2D structure for mannitol

Molecular properties

Formula
C6H14O6
Molar mass
182.17 g·mol−1
Exact mass
182.0790 Da
0
6
6
121.00 Ų
-3.1 (PubChem computed XLogP3-AA descriptor)
CAS
69-65-8
PubChem CID
6251

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-3.1PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • (2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol
  • 69-65-8
  • Bronchitol
  • Cordycepic acid
  • D-(-)-Mannitol
  • D-mannitol
  • Diosmol
  • Invenex
Show all 23 synonyms
  • Isotol
  • Maniton-S
  • Manna sugar
  • Mannazucker
  • Mannidex
  • Mannigen
  • Mannistol
  • Mannit
  • Mannite
  • Mannitol, D-
  • Mannogem 2080
  • Marine Crystal
  • Osmitrol
  • Osmosal
  • Resectisol

Structure identifiers

Canonical SMILES
C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
Isomeric SMILES
C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
InChI
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKey
FBPFZTCFMRRESA-KVTDHHQDSA-N
PubChem CID
6251

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 mannitol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for mannitol; 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
mannitol - Formula, Structure, Properties, IR and spectroscopy data | ChemArche