(3R,4R,5R)-2-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]oxolan-3-yl benzoate

• ChemBase编号: 797694
• 分子式: C28H24O9
• 平均质量: 504.48476
• 单一同位素质量: 504.14203235
• SMILES: O(C[C@H]1OC(OC(=O)C)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)C(=O)c1ccccc1
• Canonical SMILES: CC(=O)OC1O[C@@H]([C@H]([C@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1
• InChI: InChI=1S/C28H24O9/c1-18(29)34-28-24(37-27(32)21-15-9-4-10-16-21)23(36-26(31)20-13-7-3-8-14-20)22(35-28)17-33-25(30)19-11-5-2-6-12-19/h2-16,22-24,28H,17H2,1H3/t22-,23-,24-,28?/m1/s1
• InChIKey: GCZABPLTDYVJMP-ASAMFVBJSA-N

名称和登记号

名称

• IUPAC标准名: (3R,4R,5R)-2-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]oxolan-3-yl benzoate
• IUPAC传统名: (3R,4R,5R)-2-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]oxolan-3-yl benzoate
• 别名: 1-O-Acetyl-2,3,5-tri-O-benzoyl-D-ribofuranose

登记号

• CAS号: 6974-32-9

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.6248207
• LogD (pH = 7.4): 5.6248207
• Log P: 5.6248207
• 摩尔折射率: 128.5784 cm^3
• 极化性: 50.93317 Å^3
• 极化表面积: 114.43 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 97%