bis(2,5-dioxopyrrolidin-1-yl) 3,6,9,12,15,18,21,24-octaoxahexacosanedioate

• ChemBase编号: 175791
• 分子式: C26H40N2O16
• 平均质量: 636.5996
• 单一同位素质量: 636.23778321
• SMILES: O(C(=O)COCCOCCOCCOCCOCCOCCOCCOCC(=O)ON1C(=O)CCC1=O)N1C(=O)CCC1=O
• Canonical SMILES: O=C(ON1C(=O)CCC1=O)COCCOCCOCCOCCOCCOCCOCCOCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C26H40N2O16/c29-21-1-2-22(30)27(21)43-25(33)19-41-17-15-39-13-11-37-9-7-35-5-6-36-8-10-38-12-14-40-16-18-42-20-26(34)44-28-23(31)3-4-24(28)32/h1-20H2
• InChIKey: KYSBEXZPYUIJLU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(2,5-dioxopyrrolidin-1-yl) 3,6,9,12,15,18,21,24-octaoxahexacosanedioate
• IUPAC传统名: bis(2,5-dioxopyrrolidin-1-yl) 3,6,9,12,15,18,21,24-octaoxahexacosanedioate
• 别名: 3,6,9,12,15,18,21,24-Octaoxahexacosanedioic Acid 1,26-Bis(2,5-dioxo-1-pyrrolidinyl) Ester; Octaoxahexacosanedioic Acid Bis(N-Hydroxysuccinimide) Ester

登记号

• PubChem SID: 164231701
• PubChem CID: 57369366

理论计算性质

• Acid pKa: 17.401377
• 质子受体: 14
• 质子供体: 0
• LogD (pH = 5.5): -2.5091417
• LogD (pH = 7.4): -2.5091417
• Log P: -2.5091417
• 摩尔折射率: 143.5938 cm^3
• 极化性: 57.39984 Å^3
• 极化表面积: 201.2 Å^2
• 可自由旋转的化学键: 29
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - O238650

Oligomers of ethylene glycol have found widespread applications in a number of areas of chemistry, including the synthesis of crown ethers and podands, use as surfactants and more recently as biocompatible polymers which are capable of modifying the prope

参考文献

• Norgard, K., et al.: J. Biol. Chem., 268, 12764 (1993)
• Lin, C., et al.: Bioorg. Med. Chem., 3, 1625 (1993)
• Steegmaier, M., et al.: Nature, 373, 615 (1993)
• Murray, B., et al.: Biochemistry, 35, 11183 (1993)