N-[6-(2-iodoacetamido)hexyl]-5-[(4S)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamide

• ChemBase编号: 162120
• 分子式: C18H31IN4O3S
• 平均质量: 510.43321
• 单一同位素质量: 510.11615987
• SMILES: C12C(CS[C@H]1CCCCC(=O)NCCCCCCNC(=O)CI)NC(=O)N2
• Canonical SMILES: ICC(=O)NCCCCCCNC(=O)CCCC[C@@H]1SCC2C1NC(=O)N2
• InChI: InChI=1S/C18H31IN4O3S/c19-11-16(25)21-10-6-2-1-5-9-20-15(24)8-4-3-7-14-17-13(12-27-14)22-18(26)23-17/h13-14,17H,1-12H2,(H,20,24)(H,21,25)(H2,22,23,26)/t13?,14-,17?/m0/s1
• InChIKey: DNXDWMHPTVQBIP-UUCFBXCCSA-N

名称和登记号

名称

• IUPAC标准名: N-[6-(2-iodoacetamido)hexyl]-5-[(4S)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamide
• IUPAC传统名: N-[6-(2-iodoacetamido)hexyl]-5-[(4S)-2-oxo-hexahydrothieno[3,4-d]imidazolidin-4-yl]pentanamide
• 别名: (3aS,4S,6aR)-Hexahydro-N-[6-[(2-iodoacetyl)amino]hexyl]-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide; N-Iodoacetyl-N'-biotinylhexylenediamine; N-Biotinyl-N'-(iodoacetyl)-1,6-hexanediamine

登记号

• CAS号: 93285-75-7
• PubChem SID: 162256255
• PubChem CID: 46780816

理论计算性质

• Acid pKa: 13.132696
• 质子受体: 3
• 质子供体: 4
• LogD (pH = 5.5): 1.1700388
• LogD (pH = 7.4): 1.1700398
• Log P: 1.1700405
• 摩尔折射率: 115.9592 cm^3
• 极化性: 45.336884 Å^3
• 极化表面积: 99.33 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - B396025

A useful reagent for biotinylation of proteins and subsequent use in a protein microarray.