(3R,4S)-oxolane-3,4-diol

• ChemBase编号: 151246
• 分子式: C4H8O3
• 平均质量: 104.10452
• 单一同位素质量: 104.04734412
• SMILES: C1[C@H]([C@H](CO1)O)O
• Canonical SMILES: O[C@@H]1COC[C@@H]1O
• InChI: InChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+
• InChIKey: SSYDTHANSGMJTP-ZXZARUISSA-N

名称和登记号

名称

• IUPAC标准名: (3R,4S)-oxolane-3,4-diol
• IUPAC传统名: (3R,4S)-oxolane-3,4-diol
• 别名: 1,4-酐-赤藓糖醇; (3R,4S)-Tetrahydrofuran-3,4-diol; (3S,4R)-Tetrahydrofuran-3,4-diol; Erythritan; Erythritol-1,4-anhydride; cis-3,4-Dihydroxyoxolane; cis-3,4-Dihydroxytetrahydrofuran; cis-Oxolane-3,4-diol; cis-Tetrahydrofuran-3,4-diol; meso-3,4-Dihydroxytetrahydrofuran; 1,4-Anhydroerythritol; 1,4-Anhydroerythritol

登记号

• CAS号: 4358-64-9
• EC号: 224-433-1
• MDL号: MFCD00075210
• PubChem SID: 24860877; 162245402
• PubChem CID: 641773

理论计算性质

• Acid pKa: 13.0593405
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -1.3076454
• LogD (pH = 7.4): -1.3076464
• Log P: -1.3076454
• 摩尔折射率: 22.9685 cm^3
• 极化性: 9.41032 Å^3
• 极化表面积: 49.69 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

• 闪点: >113 °C; >235.4 °F
• 密度: 1.27 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.477(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C4H8O3

详细说明

Sigma Aldrich - 340928

包装
5, 25 g in glass bottle

Toronto Research Chemicals - A638900

1,4-Anhydroerythritol is a tetrahydrofuran derivative used as a heterocyclic building block in epoxy resins and other polymers. 1,4-Anhydroerythritol is also used in the preparation of nucleotide analogs as potential antiviral and anticancer agents.

参考文献

• Lapienis, G. et al.: J. Polym. Sci. Polym. Chem., 28, 1743 (1987)
• Liboska R.: Coll. Czech. Chem. Comm., 61, S72 (1987)
• Wachenfeld, E. et al.: Polymer, 28, 817 (1987)