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

• ChemBase编号: 169882
• 分子式: C24H36N2O15
• 平均质量: 592.54704
• 单一同位素质量: 592.21156846
• SMILES: O(C(=O)COCCOCCOCCOCCOCCOCCOCC(=O)ON1C(=O)CCC1=O)N1C(=O)CCC1=O
• Canonical SMILES: O=C(ON1C(=O)CCC1=O)COCCOCCOCCOCCOCCOCCOCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C24H36N2O15/c27-19-1-2-20(28)25(19)40-23(31)17-38-15-13-36-11-9-34-7-5-33-6-8-35-10-12-37-14-16-39-18-24(32)41-26-21(29)3-4-22(26)30/h1-18H2
• InChIKey: CMTBMPFLQYQNDF-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-heptaoxatricosanedioate
• IUPAC传统名: bis(2,5-dioxopyrrolidin-1-yl) 3,6,9,12,15,18,21-heptaoxatricosanedioate
• 别名: 3,6,9,12,15,18,21-Heptaoxatricosanedioic Acid 1,23-Bis(2,5-dioxo-1-pyrrolidinyl) Ester; 1,1'-[(1,23-Dioxo-3,6,9,12,15,18,21-heptaoxatricosane-1,23-diyl)bis(oxy)]bis-2,5-pyrrolidinedione; Heptaoxatricosanedioic Acid Bis(N-Hydroxysuccinimide) Ester

登记号

• CAS号: 211746-85-9
• PubChem SID: 162264014
• PubChem CID: 10745994

理论计算性质

• Acid pKa: 17.401377
• 质子受体: 13
• 质子供体: 0
• LogD (pH = 5.5): -2.4621663
• LogD (pH = 7.4): -2.4621663
• Log P: -2.4621663
• 摩尔折射率: 132.5503 cm^3
• 极化性: 53.01325 Å^3
• 极化表面积: 191.97 Å^2
• 可自由旋转的化学键: 26
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - H282100

Used in the preparation of five sialyl Lewis x (sLex) dimers and five sLex carboxylic acids by coupling chemoenzymically synthesized amino-substituted sLex to homo-bifunctional cross-linkers of varying chain length. These compounds should be of importance

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)