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

• ChemBase编号: 160658
• 分子式: C34H37O8P
• 平均质量: 604.626541
• 单一同位素质量: 604.22260477
• SMILES: [C@H]1([C@@H]([C@H](O[C@H]1CO)COP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: OC[C@@H]1O[C@@H]([C@H]([C@H]1OCc1ccccc1)OCc1ccccc1)COP(=O)(OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C34H37O8P/c35-21-31-33(37-22-27-13-5-1-6-14-27)34(38-23-28-15-7-2-8-16-28)32(42-31)26-41-43(36,39-24-29-17-9-3-10-18-29)40-25-30-19-11-4-12-20-30/h1-20,31-35H,21-26H2/t31-,32+,33+,34+/m0/s1
• InChIKey: IYRWMYOBDFJOAR-KRFMAMIKSA-N

名称和登记号

名称

• IUPAC标准名: dibenzyl [(2R,3R,4R,5S)-3,4-bis(benzyloxy)-5-(hydroxymethyl)oxolan-2-yl]methyl phosphate
• IUPAC传统名: dibenzyl [(2R,3R,4R,5S)-3,4-bis(benzyloxy)-5-(hydroxymethyl)oxolan-2-yl]methyl phosphate
• 别名: 2,5-Anhydro-3,4-dibenzyl-D-glucitol-6-(dibenzylphosphate)

登记号

• PubChem SID: 162254793
• PubChem CID: 71313414

理论计算性质

• Acid pKa: 14.587722
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 6.2481856
• LogD (pH = 7.4): 6.2481856
• Log P: 6.2481856
• 摩尔折射率: 162.6838 cm^3
• 极化性: 64.83799 Å^3
• 极化表面积: 92.68 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Acetone; Dichloromethane; Ethyl Acetate
• 外观: Colourless Oil

详细说明

Toronto Research Chemicals - A637860

Protected D-glucitol.