1-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl] 2,5-dioxopyrrolidin-1-yl butanedioate

• ChemBase编号: 153386
• 分子式: C14H14N2O8
• 平均质量: 338.26956
• 单一同位素质量: 338.07501542
• SMILES: C1CC(=O)N(C1=O)OC(=O)CCC(=O)OCCN1C(=O)C=CC1=O
• Canonical SMILES: O=C(CCC(=O)ON1C(=O)CCC1=O)OCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C14H14N2O8/c17-9-1-2-10(18)15(9)7-8-23-13(21)5-6-14(22)24-16-11(19)3-4-12(16)20/h1-2H,3-8H2
• InChIKey: HLYQBBSYKLLKAF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl] 2,5-dioxopyrrolidin-1-yl butanedioate
• IUPAC传统名: 1-[2-(2,5-dioxopyrrol-1-yl)ethyl] 2,5-dioxopyrrolidin-1-yl butanedioate
• 别名: MESS; Maleimidoethyl succinimidyl succinate; Succinic acid maleimidoethyl N-hydroxysuccinimide ester

登记号

• CAS号: 132774-52-8
• MDL号: MFCD00274451
• PubChem SID: 162247525
• PubChem CID: 195727

理论计算性质

• Acid pKa: 17.709038
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): -1.4667553
• LogD (pH = 7.4): -1.4667553
• Log P: -1.4667553
• 摩尔折射率: 75.139 cm^3
• 极化性: 29.291136 Å^3
• 极化表面积: 127.36 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥95%
• Empirical Formula (Hill Notation): C14H14N2O8

详细说明

Sigma Aldrich - S2296

Application
Heterobifunctional cross-linking reagent