(1R)-1-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2-(acetyloxy)ethyl acetate

• ChemBase编号: 91694
• 分子式: C20H26O8
• 平均质量: 394.41564
• 单一同位素质量: 394.16276779
• SMILES: CC(=O)OC[C@@H](OC(=O)C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1
• Canonical SMILES: CC(=O)O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]1OCc1ccccc1)OC(O2)(C)C)COC(=O)C
• InChI: InChI=1S/C20H26O8/c1-12(21)23-11-15(25-13(2)22)16-17(24-10-14-8-6-5-7-9-14)18-19(26-16)28-20(3,4)27-18/h5-9,15-19H,10-11H2,1-4H3/t15-,16-,17+,18-,19-/m1/s1
• InChIKey: CIMPUIMAKYLKBF-UJWQCDCRSA-N

名称和登记号

名称

• IUPAC标准名: (1R)-1-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2-(acetyloxy)ethyl acetate
• IUPAC传统名: (1R)-1-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(acetyloxy)ethyl acetate
• 别名: 3-O-Benzyl-5,6-di-O-acetyl-1,2-O-isopropylidene-alpha-D-glucofuranose

登记号

• MDL号: MFCD00269928
• PubChem SID: 162078393
• PubChem CID: 11463537

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 2.0197358
• LogD (pH = 7.4): 2.0197358
• Log P: 2.0197358
• 摩尔折射率: 95.7972 cm^3
• 极化性: 39.060364 Å^3
• 极化表面积: 89.52 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true