ol

• ChemBase编号: 176136
• 分子式: C14H19N2OS2
• 平均质量: 295.44346
• 单一同位素质量: 295.09388024
• SMILES: N1(C(C(=CC1(C)C)CSSc1ccncc1)(C)C)[O]
• Canonical SMILES: [O]N1C(C)(C)C=C(C1(C)C)CSSc1ccncc1
• InChI: InChI=1S/C14H19N2OS2/c1-13(2)9-11(14(3,4)16(13)17)10-18-19-12-5-7-15-8-6-12/h5-9H,10H2,1-4H3
• InChIKey: FNNRAOXVINHEDD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ol
• IUPAC传统名: tyrosine(.)
• 别名: 1-Oxyl-2,2,5,5-tetramethyl-Δ3-pyrrolinyl-4-pyridine Disulfide

登记号

• PubChem SID: 164232046
• PubChem CID: 71751417

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.4299886
• LogD (pH = 7.4): 2.4595308
• Log P: 2.459924
• 摩尔折射率: 82.2143 cm^3
• 极化性: 32.893616 Å^3
• 极化表面积: 16.13 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; Ethyl Acetate
• 外观: Brown Thick Oil

安全信息

• 保存条件: Amber Vial, -20°C Freezer, Under inert atmosphere

详细说明

Toronto Research Chemicals - O876200

A highly reactive thiol-specific spin-label. A specific conformational probe of thiol site structure by virtue of its minimal rotational freedom and distance from the covalent disulfide linkage to the macromolecule under study.