N-{2-[(2-{2-[2-(2-iodoacetamido)ethoxy]ethoxy}ethyl)carbamoyl]ethyl}-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide

• ChemBase编号: 154221
• 分子式: C21H38IN5O6
• 平均质量: 583.46079
• 单一同位素质量: 583.18668196
• SMILES: CC1C(NC(=O)N1)CCCCCC(=O)NCCC(=O)NCCOCCOCCNC(=O)CI
• Canonical SMILES: ICC(=O)NCCOCCOCCNC(=O)CCNC(=O)CCCCCC1NC(=O)NC1C
• InChI: InChI=1S/C21H38IN5O6/c1-16-17(27-21(31)26-16)5-3-2-4-6-18(28)23-8-7-19(29)24-9-11-32-13-14-33-12-10-25-20(30)15-22/h16-17H,2-15H2,1H3,(H,23,28)(H,24,29)(H,25,30)(H2,26,27,31)
• InChIKey: DBOWCCSTSCXTEL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{2-[(2-{2-[2-(2-iodoacetamido)ethoxy]ethoxy}ethyl)carbamoyl]ethyl}-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
• IUPAC传统名: N-{2-[(2-{2-[2-(2-iodoacetamido)ethoxy]ethoxy}ethyl)carbamoyl]ethyl}-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
• 别名: Desthiobiotin PEO iodoacetamide; Desthiobiotin polyethyleneoxide Iodoacetamide

登记号

• MDL号: MFCD06202009
• PubChem SID: 24893652; 162248360
• PubChem CID: 16219222

理论计算性质

• Acid pKa: 13.078421
• 质子受体: 6
• 质子供体: 5
• LogD (pH = 5.5): -0.85236657
• LogD (pH = 7.4): -0.85236657
• Log P: -0.85236573
• 摩尔折射率: 131.1842 cm^3
• 极化性: 51.27324 Å^3
• 极化表面积: 146.89 Å^2
• 可自由旋转的化学键: 19
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: H2O: soluble10 mg/mL
• 外观: powder

安全信息

• 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: 26-36/37
• 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: 2-8°C

产品相关信息

• 纯度: ≥90% (HPLC)
• Empirical Formula (Hill Notation): C21H38IN5O6

详细说明

Sigma Aldrich - D2192

Application
Especially useful for cysteine labeling in many proteomics applications such as peptide mapping and mass spectrometry.
Features and Benefits

• Easily eluted from streptavidin or avidin affinity matrices under mild conditions
• Incorportates a 16 atom hydrophilic spacer
• Typically coupled to sulfhydryl groups at pH 7.5 - 8.5
Other Notes
Sulfhydryl specific, water soluble biotinylation reagent.