[(2R,3R,4R,5S)-3,4-bis(benzyloxy)-5-(hydroxymethyl)oxolan-2-yl]methanol

• ChemBase编号: 160656
• 分子式: C20H24O5
• 平均质量: 344.40156
• 单一同位素质量: 344.16237387
• SMILES: [C@H]1([C@@H]([C@H](O[C@H]1CO)CO)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: OC[C@@H]1O[C@@H]([C@H]([C@H]1OCc1ccccc1)OCc1ccccc1)CO
• InChI: InChI=1S/C20H24O5/c21-11-17-19(23-13-15-7-3-1-4-8-15)20(18(12-22)25-17)24-14-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18+,19-,20-/m1/s1
• InChIKey: GCCFBDFJFARWGD-IYWMVGAKSA-N

名称和登记号

名称

• IUPAC标准名: [(2R,3R,4R,5S)-3,4-bis(benzyloxy)-5-(hydroxymethyl)oxolan-2-yl]methanol
• IUPAC传统名: [(2R,3R,4R,5S)-3,4-bis(benzyloxy)-5-(hydroxymethyl)oxolan-2-yl]methanol
• 别名: 2,5-Anhydro-3,4-bis-O-(phenylmethyl)-D-glucitol; 2,5-Anhydro-3,4-dibenzyl-D-glucitol

登记号

• CAS号: 129115-89-5
• PubChem SID: 162254791
• PubChem CID: 11210109

理论计算性质

• Acid pKa: 14.286693
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 2.166884
• LogD (pH = 7.4): 2.166884
• Log P: 2.166884
• 摩尔折射率: 93.6211 cm^3
• 极化性: 37.235935 Å^3
• 极化表面积: 68.15 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dichloromethane; Ether
• 外观: Yellow Oil

详细说明

Toronto Research Chemicals - A637850

Protected D-Glucitol.