methyl (2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(acetyloxy)oxane-2-carboxylate

• ChemBase编号: 174326
• 分子式: C15H20O11
• 平均质量: 376.3127
• 单一同位素质量: 376.10056146
• SMILES: [C@@H]1([C@@H](O[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C)OC(=O)C
• Canonical SMILES: COC(=O)[C@@H]1O[C@@H](OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
• InChI: InChI=1S/C15H20O11/c1-6(16)22-10-11(23-7(2)17)13(24-8(3)18)15(25-9(4)19)26-12(10)14(20)21-5/h10-13,15H,1-5H3/t10-,11-,12+,13+,15+/m0/s1
• InChIKey: DPOQCELSZBSZGX-RLPMIEJPSA-N

名称和登记号

名称

• IUPAC标准名: methyl (2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(acetyloxy)oxane-2-carboxylate
• IUPAC传统名: methyl (2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(acetyloxy)oxane-2-carboxylate
• 别名: Methyl 1,2,3,4-Tetra-O-acetyl-α-L-iduronate; α-L-Idopyranuronic Acid Methyl Ester Tetraacetate; Methyl 1,2,3,4-Tetra-O-acetyl-α-L-idopyranuronate

登记号

• CAS号: 108032-41-3
• PubChem SID: 164230236
• PubChem CID: 12275077

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): -0.701869
• LogD (pH = 7.4): -0.701869
• Log P: -0.701869
• 摩尔折射率: 77.1659 cm^3
• 极化性: 32.614796 Å^3
• 极化表面积: 140.73 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO
• 外观: White Solid
• 熔点: 120-122°C

安全信息

• 保存条件: -20°C Freezer
• 保存注意事项: Store at -20°C

详细说明

Toronto Research Chemicals - M326700

Methyl 1,2,3,4-Tetra-O-acetyl-α-L-idopyranuronate is used in the synthesis of L-iduronic acid derivatives from D-glucuronic acid analogs.

参考文献

• Chiba, T., et al.: Carbohydr. Res., 151, 379 (1986)