4-[bromo(2H2)methyl]-2,2-dimethyl(2H3)-1,3-dioxolane

• ChemBase编号: 162961
• 分子式: C6H11BrO2
• 平均质量: 195.05434
• 单一同位素质量: 193.99424159
• SMILES: C1C(OC(O1)(C)C)CBr
• Canonical SMILES: BrCC1COC(O1)(C)C
• InChI: InChI=1S/C6H11BrO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3
• InChIKey: ZOPZKFNSQYCIPP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[bromo(^2H₂)methyl]-2,2-dimethyl(^2H₃)-1,3-dioxolane
• IUPAC传统名: 4-[bromo(^2H₂)methyl]-2,2-dimethyl(^2H₃)-1,3-dioxolane
• 别名: 4-(Bromomethyl)-2,2-dimethyl-1,3-dioxolane-d5; DL-Isopropylideneglycerol-1-bromohydrin-d5; 4-(Bromomethyl)-2,2-dimethyl-1,3-dioxolane-d5

登记号

• PubChem SID: 162257096
• PubChem CID: 71314257

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.4034977
• LogD (pH = 7.4): 1.4034977
• Log P: 1.4034977
• 摩尔折射率: 38.7576 cm^3
• 极化性: 15.318185 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Methanol
• 外观: Colorless Oil

详细说明

Toronto Research Chemicals - B685342

Used in the preparation of antiviral agents.