N-[3',6'-bis(dimethylamino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-yl]-2-iodoacetamide

• ChemBase编号: 171660
• 分子式: C26H24IN3O4
• 平均质量: 569.39093
• 单一同位素质量: 569.08115426
• SMILES: c1(ccc2c(c1)Oc1c(C32c2c(C(=O)O3)ccc(c2)NC(=O)CI)ccc(c1)N(C)C)N(C)C
• Canonical SMILES: ICC(=O)Nc1ccc2c(c1)C1(OC2=O)c2ccc(cc2Oc2c1ccc(c2)N(C)C)N(C)C
• InChI: InChI=1S/C26H24IN3O4/c1-29(2)16-6-9-19-22(12-16)33-23-13-17(30(3)4)7-10-20(23)26(19)21-11-15(28-24(31)14-27)5-8-18(21)25(32)34-26/h5-13H,14H2,1-4H3,(H,28,31)
• InChIKey: PBNJVBIBIUPXPG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[3',6'-bis(dimethylamino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-yl]-2-iodoacetamide
• IUPAC传统名: N-[3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-6-yl]-2-iodoacetamide
• 别名: 6-IATR; 6-Iodoacetamidotetramethyl Rhodamine, 90%

登记号

• CAS号: 159435-00-4
• PubChem SID: 164227570
• PubChem CID: 4349553

理论计算性质

• Acid pKa: 12.922164
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 4.8791685
• LogD (pH = 7.4): 4.8867345
• Log P: 4.886832
• 摩尔折射率: 144.0623 cm^3
• 极化性: 52.629383 Å^3
• 极化表面积: 71.11 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Mixture of Chloroform and Methanol
• 外观: Purple Solid
• 熔点: >300°C (dec.)

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - I685000

A thiol reactive fluorescent probe for the labelling of proteins. Rhodamine dyes are used extensively in various aspects of fluorescence microscopy because of their brightness and resistance to photobleaching. They are valuable in studies directed at pro

参考文献

• Corrie, J.E.T., and Craik, J.S.: J. Chem. Soc. Perkin Trans. 1, 2967 (1994)