2,5-dioxopyrrolidin-1-yl 3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylate

• ChemBase编号: 163747
• 分子式: C25H15NO9
• 平均质量: 473.3879
• 单一同位素质量: 473.07468107
• SMILES: O1c2c(C3(c4c1cc(cc4)O)c1c(C(=O)O3)cc(cc1)C(=O)ON1C(=O)CCC1=O)ccc(c2)O
• Canonical SMILES: Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3ccc(c2)C(=O)ON2C(=O)CCC2=O)ccc(c1)O
• InChI: InChI=1S/C25H15NO9/c27-13-2-5-17-19(10-13)33-20-11-14(28)3-6-18(20)25(17)16-4-1-12(9-15(16)24(32)34-25)23(31)35-26-21(29)7-8-22(26)30/h1-6,9-11,27-28H,7-8H2
• InChIKey: GECIDMICWWDIBO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dioxopyrrolidin-1-yl 3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylate
• IUPAC传统名: 2,5-dioxopyrrolidin-1-yl 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate
• 别名: 5-Carboxyfluorescein-NHS; 5-Carboxyfluorescein-N-succinimidyl Ester; 1-[[3’,6’-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9’-[9H]xanthen]-5-yl)carbonyl]oxy]-2,5-pyrrolidinedione; 5-Carboxyfluorescein-N-hydroxysuccinimide Ester

登记号

• CAS号: 92557-80-7
• PubChem SID: 162257882
• PubChem CID: 2762599

理论计算性质

• Acid pKa: 8.719013
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): 3.1072505
• LogD (pH = 7.4): 3.087054
• Log P: 3.107511
• 摩尔折射率: 119.0301 cm^3
• 极化性: 45.040344 Å^3
• 极化表面积: 139.67 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: DMSO
• 外观: Yellow to Orange Solid
• 熔点: >300°C (dec.)

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - C178350

It is one of the most popular green fluorescent reagent used for labelling peptides, proteins and nucleotides.