ol

• ChemBase编号: 128468
• 分子式: C10H18NO3S2
• 平均质量: 264.38482
• 单一同位素质量: 264.07281044
• SMILES: CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C
• Canonical SMILES: [O]N1C(C)(C)C=C(C1(C)C)CSS(=O)(=O)C
• InChI: InChI=1S/C10H18NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6H,7H2,1-5H3
• InChIKey: BLSCGBLQCTWVPO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ol
• IUPAC传统名: tyrosine(.)
• 别名: MTSL; MTSL; 2,5-Dihydro-2,2,5,5-tetramethyl-3-[[(methylsulfonyl)thio]methyl]-1H-pyrrol-1-yloxy; MTS; (1-Oxyl-2,2,5,5-tetramethyl-Δ3-pyrroline-3-methyl) Methanethiosulfonate

登记号

• CAS号: 81213-52-7
• PubChem SID: 162222775
• PubChem CID: 133628
• Chemspider ID: 117873
• 维基百科标题: MTSL

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.65395164
• LogD (pH = 7.4): 0.65395164
• Log P: 0.65395164
• 摩尔折射率: 67.108 cm^3
• 极化性: 27.234642 Å^3
• 极化表面积: 37.38 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Acetone; Chloroform; Methanol
• 外观: Light Yellow to Brownish Yellow Solid
• 熔点: 93-99°C

安全信息

• 保存条件: Amber Vial, -20°C Freezer, Under Inert Atmosphere
• 保存注意事项: Light Sensitive

详细说明

Toronto Research Chemicals - O875000

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.

参考文献

• Padmavathi, P., et al.: J. Mol. Biol., 378, 204 (2008)
• Huang, H., et al.: Biochem., 47, 12380 (2008)
• Antoniou, C., et al.: Anal. Biochem., 376, 160 (2008)