2,5-dioxopyrrolidin-1-yl 4-benzoylbenzoate

• ChemBase编号: 177932
• 分子式: C18H13NO5
• 平均质量: 323.29952
• 单一同位素质量: 323.07937252
• SMILES: c1(ccccc1)C(=O)c1ccc(cc1)C(=O)ON1C(=O)CCC1=O
• Canonical SMILES: O=C1CCC(=O)N1OC(=O)c1ccc(cc1)C(=O)c1ccccc1
• InChI: InChI=1S/C18H13NO5/c20-15-10-11-16(21)19(15)24-18(23)14-8-6-13(7-9-14)17(22)12-4-2-1-3-5-12/h1-9H,10-11H2
• InChIKey: MVQNJLJLEGZFGP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dioxopyrrolidin-1-yl 4-benzoylbenzoate
• IUPAC传统名: 2,5-dioxopyrrolidin-1-yl 4-benzoylbenzoate
• 别名: 4-Benzoylbenzoic Acid 2,5-Dioxo-1-pyrrolidinyl Ester; 1-[(4-Benzoylbenzoyl)oxy]-2,5-pyrrolidinedione; N-Succinimidyl 4-Benzoylbenzoate; 4-(N-Succinimidylcarboxy)benzophenone

登记号

• CAS号: 91990-88-4
• PubChem SID: 164233842
• PubChem CID: 2762595

理论计算性质

• Acid pKa: 17.697294
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.6597672
• LogD (pH = 7.4): 2.6597672
• Log P: 2.6597672
• 摩尔折射率: 84.4435 cm^3
• 极化性: 32.5057 Å^3
• 极化表面积: 80.75 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Methanol
• 外观: White Solid
• 熔点: 202-203°C

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - S690283

A photoactivatable analog of glutathione disulfide.

参考文献

• Parker, J.M.R., et al.: J. Protein Chem., 3, 479 (1985)
• Rajasekharan, K.N., et al.: Arch. Biochem. Biophys., 288, 584 (1991)