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

• ChemBase编号: 172529
• 分子式: C6H14O6
• 平均质量: 182.17176
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
• IUPAC传统名: mannitol
• 别名: 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

登记号

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

理论计算性质

• Acid pKa: 12.585201
• 质子受体: 6
• 质子供体: 6
• LogD (pH = 5.5): -3.7300189
• LogD (pH = 7.4): -3.7300217
• Log P: -3.7300189
• 摩尔折射率: 38.4036 cm^3
• 极化性: 15.776147 Å^3
• 极化表面积: 121.38 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: 100mg/ml Water
• 外观: White Solid
• 熔点: 166-168°C

安全信息

• 保存条件: Refrigerator

详细说明

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

参考文献

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