(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol

• ChemBase ID: 172529
• Molecular Formular: C6H14O6
• Molecular Mass: 182.17176
• Monoisotopic Mass: 182.07903817
• SMILES: [C@@H](O)([C@H](O)[C@@H](O)[C@@H](O)CO)CO
• Canonical SMILES: OC[C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O
• InChI: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2
• InChIKey: FBPFZTCFMRRESA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
• IUPAC Traditional name: mannitol
• Synonyms: Cordycepic Acid; Brightmoon; Bronchitol; D-(-)-Mannitol; D-Mannit; Diosmol; Isotol; Manicol; Maniton S; Mannidex; Mannigen; Mannistol; Mannit; Mannit 60; Mannit P; Mannit S; Mannite; Mannitol; Mannitol 35; Mannitol 60; Mannitol P 60; Mannitolum; Mannogem 2080; Mannogem EZ; Marine Crystal; Nonpareil 108; Orocell 200; Osmitrol; Osmosal; Parteck 300; Parteck Delta M; Parteck M 100; Parteck M 200; Parteck M 300; Partek M; Pearlitol; Perteck M; Resectisol; D-Mannitol

Database IDs

• CAS Number: 69-65-8
• PubChem SID: 164228439
• PubChem CID: 136460

CALCULATED PROPERTIES

• Acid pKa: 12.585201
• H Acceptors: 6
• H Donor: 6
• LogD (pH = 5.5): -3.7300189
• LogD (pH = 7.4): -3.7300217
• Log P: -3.7300189
• Molar Refractivity: 38.4036 cm^3
• Polarizability: 15.776147 Å^3
• Polar Surface Area: 121.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: 100mg/ml Water
• Apperance: White Solid
• Melting Point: 166-168°C

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - M165000

D-Mannitol is widespread in plants and plant exudates; obtained from manna and seaweeds. D-Mannitol is used in the food industry as anticaking and free-flow agent, flavoring agent, lubricant and release agent, stabilizer and thickener and nutritive sweete

REFERENCES

• Pigman, W., et al.: The Carbohydrates, 249 (1957)
• Makkee, M., et al.: Chem. Commun., 930 (1957)