2,5-dioxopyrrolidin-1-yl 6-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]hexanoate

• ChemBase编号: 177935
• 分子式: C17H21N3O7
• 平均质量: 379.36454
• 单一同位素质量: 379.13795003
• SMILES: C1=CC(=O)N(C1=O)CCC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O
• Canonical SMILES: O=C(CCN1C(=O)C=CC1=O)NCCCCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C17H21N3O7/c21-12(9-11-19-13(22)5-6-14(19)23)18-10-3-1-2-4-17(26)27-20-15(24)7-8-16(20)25/h5-6H,1-4,7-11H2,(H,18,21)
• InChIKey: WCMOHMXWOOBVMZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dioxopyrrolidin-1-yl 6-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]hexanoate
• IUPAC传统名: 2,5-dioxopyrrolidin-1-yl 6-[3-(2,5-dioxopyrrol-1-yl)propanamido]hexanoate
• 别名: 6-[[3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]hexanoic Acid 2,5-Dioxo-1-pyrrolidinyl Ester; SMPH; N-Succinimidyl 6-(3-Maleimidopropionamido) Hexanoate

登记号

• CAS号: 367927-39-7
• PubChem SID: 164233845
• PubChem CID: 4170355

理论计算性质

• Acid pKa: 15.106282
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): -1.0181175
• LogD (pH = 7.4): -1.0181174
• Log P: -1.0181174
• 摩尔折射率: 91.0458 cm^3
• 极化性: 35.128963 Å^3
• 极化表面积: 130.16 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - S690500

A sulfhydryl and amino reactive heterobifunctional crosslinking reagent.Spacer Arm: 14.3 Angstroms