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

• ChemBase编号: 127510
• 分子式: C6H14O6
• 平均质量: 182.17176
• 单一同位素质量: 182.07903817
• SMILES: O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)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/t3-,4+,5+,6-
• InChIKey: FBPFZTCFMRRESA-GUCUJZIJSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol
• IUPAC传统名: galactitol
• 别名: 己六醇; 半乳糖醇; 卫矛醇; 甜醇; (2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol; Dulcite; Galactitol; Dulcitol; D-Galactitol; Dulcitol; Galactitol; (2R,3S,4R,5S)-Hexane-1,2,3,4,5,6-hexaol

登记号

• CAS号: 608-66-2
• EC号: 210-165-2
• MDL号: MFCD00064288
• Beilstein号: 1721903
• 默克索引号: 144332
• PubChem SID: 24893220; 162221829
• PubChem CID: 11850
• CHEBI ID: 16813
• CHEMBL: 1773904
• Chemspider ID: 11357
• 维基百科标题: Galactitol

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

• 熔点: 167 - 169°C; 185-189 °C; 187-191°C
• 沸点: 275-280°C/1mm
• 密度: 1.47
• 疏水性(logP): -2.046
• 甜度: <0.6 × sucrose

安全信息

• 德国WGK号: 3
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥99%; ≥99.0% (HPLC); 95%; 95+%; 97%
• 级别: for microbiology
• 燃烧残渣: ≤0.05%
• Empirical Formula (Hill Notation): C6H14O6

详细说明

Sigma Aldrich - D0256

Biochem/physiol Actions
一种糖醇，也是人类味觉细胞的轻度甜促味剂。
包装
10 mg in autosmp vl
Application
Dulcitol (Galactitol), a sugar alcohol derived through reduction of galatose, is studied to determine its role and mechanisms in pathologies such as cataract formation, hepatosplenomegaly and mental retardation. Galactitol is used as a substrate to identify, differentiate and characterize galactitol dehydrogenase(s).
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. D0256.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. D0256.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - D223158

Biochem/physiol Actions
一种糖醇，也是人类味觉细胞的轻度甜促味剂。

Sigma Aldrich - 44590

Biochem/physiol Actions
一种糖醇，也是人类味觉细胞的轻度甜促味剂。