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

• ChemBase编号: 92336
• 分子式: C4H8O3
• 平均质量: 104.10452
• 单一同位素质量: 104.04734412
• SMILES: O1C[C@@H]([C@H](C1)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-/m0/s1
• InChIKey: SSYDTHANSGMJTP-IMJSIDKUSA-N

名称和登记号

名称

• IUPAC标准名: (3S,4S)-oxolane-3,4-diol
• IUPAC传统名: (3S,4S)-oxolane-3,4-diol
• 别名: (3S,4S)-Tetrahydro-3,4-furandiol; (3S-trans)-Tetrahydro-3,4-furandiol; (S,S)-Tetrahydrofuran-3,4-diol; 1,4-Anhydro-L-threitol; L-Threitan; (3S,4S)-Tetrahydrofuran-3,4-diol

登记号

• CAS号: 84709-85-3
• MDL号: MFCD00075211
• PubChem SID: 162079034
• PubChem CID: 641772

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

详细说明

Toronto Research Chemicals - A656400

1,4-Anhydro-L-threitol is a tetrahydrofuran derivative used in the preparation of hyperbranched carbohydrate polymers via ring-opening reaction.

参考文献

• Imai, T. et al.: Macromolecules, 37, 3113 (2004)