2,5-dioxopyrrolidin-1-yl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetate

• ChemBase编号: 155225
• 分子式: C10H8N2O6
• 平均质量: 252.18032
• 单一同位素质量: 252.03823599
• SMILES: C1CC(=O)N(C1=O)OC(=O)CN1C(=O)C=CC1=O
• Canonical SMILES: O=C(CN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C10H8N2O6/c13-6-1-2-7(14)11(6)5-10(17)18-12-8(15)3-4-9(12)16/h1-2H,3-5H2
• InChIKey: TYKASZBHFXBROF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dioxopyrrolidin-1-yl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetate
• IUPAC传统名: 2,5-dioxopyrrolidin-1-yl 2-(2,5-dioxopyrrol-1-yl)acetate
• 别名: 1-[2-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]-1H-pyrrole-2,5-dione; N-(α-Maleimidoacetoxy)succimide; Maleimidoacetic Acid N-Hydroxysuccinimide Ester; Maleimidoacetic acid N-hydroxysuccinimide ester

登记号

• CAS号: 55750-61-3
• MDL号: MFCD00133523
• PubChem SID: 162249363; 24896882
• PubChem CID: 3299229

理论计算性质

• Acid pKa: 17.705246
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -1.5646582
• LogD (pH = 7.4): -1.5646582
• Log P: -1.5646582
• 摩尔折射率: 54.8865 cm^3
• 极化性: 21.121231 Å^3
• 极化表面积: 101.06 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform
• 外观: White to Off-White Solid
• 熔点: 180-183°C

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C

产品相关信息

• 纯度: ≥95%
• Empirical Formula (Hill Notation): C10H8N2O6

详细说明

Toronto Research Chemicals - M125000

A hetero-bifunctional cross-linking reagent for the preparation of protein-protein or protein-hapten conjugates.

参考文献

• Kitagawa, T., et al.: Chem. Pharm. Bull., 29, 1130 (1981)
• Sayre., L.M., et al.: J. Med. Chem., 27, 1325 (1984)