(4S,5S)-6-methyloxane-2,3,4,5-tetrol

• ChemBase编号: 166016
• 分子式: C6H12O5
• 平均质量: 164.15648
• 单一同位素质量: 164.06847348
• SMILES: C1([C@H]([C@H](C(C(O1)O)O)O)O)C
• Canonical SMILES: O[C@@H]1C(C)OC(C([C@@H]1O)O)O
• InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2?,3-,4+,5?,6?/m1/s1
• InChIKey: SHZGCJCMOBCMKK-DLABPRKASA-N

名称和登记号

名称

• IUPAC标准名: (4S,5S)-6-methyloxane-2,3,4,5-tetrol
• IUPAC传统名: (4S,5S)-6-methyloxane-2,3,4,5-tetrol
• 别名: 6-Deoxy-L-talose; 6-Deoxy-L-galactose; (-)-Fucose; 6-Desoxygalactose; Fucose; L-(-)-Fucose; L-Galactomethylose; L-Fucose

登记号

• CAS号: 7658-10-8; 2438-80-4
• PubChem SID: 162260149
• PubChem CID: 71315513

理论计算性质

• Acid pKa: 11.30218
• 质子受体: 5
• 质子供体: 4
• LogD (pH = 5.5): -1.8856299
• LogD (pH = 7.4): -1.8856835
• Log P: -1.8856293
• 摩尔折射率: 34.3797 cm^3
• 极化性: 14.43744 Å^3
• 极化表面积: 90.15 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol; Water
• 外观: White Solid; White to Off-White Solid
• 熔点: 123-124°C; 132-134°C

安全信息

• 保存条件: -20°C Freezer; Hygroscopic, -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - F836100

L-Fucose was isolated from seaweed.

参考文献

• Clark, et al.: J. Biol. Chem., 54, 65 (1922)
• Jolles, P., et al.: Bull. Soc. Chim Biol., 43, 177 (1961)
• Chaput, G., et al.: Experientia, 17, 107 (1961)