1-(5-carboxypentyl)-2-{2-[7-(diethylamino)-4-hydroxy-2-oxo-2H-chromen-3-yl]ethenyl}-3,3-dimethyl-3H-indol-1-ium-5-sulfonate

• ChemBase编号: 154224
• 分子式: C31H36N2O8S
• 平均质量: 596.69114
• 单一同位素质量: 596.21923712
• SMILES: CCN(CC)c1ccc2c(c1)oc(=O)c(c2O)/C=C/C1=[N+](c2ccc(cc2C1(C)C)S(=O)(=O)[O-])CCCCCC(=O)O
• Canonical SMILES: CCN(c1ccc2c(c1)oc(=O)c(c2O)/C=C/C1=[N+](CCCCCC(=O)O)c2c(C1(C)C)cc(cc2)S(=O)(=O)[O-])CC
• InChI: InChI=1S/C31H36N2O8S/c1-5-32(6-2)20-11-13-22-26(18-20)41-30(37)23(29(22)36)14-16-27-31(3,4)24-19-21(42(38,39)40)12-15-25(24)33(27)17-9-7-8-10-28(34)35/h11-16,18-19H,5-10,17H2,1-4H3,(H2,34,35,38,39,40)
• InChIKey: ACILOXWOYCJZEB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(5-carboxypentyl)-2-{2-[7-(diethylamino)-4-hydroxy-2-oxo-2H-chromen-3-yl]ethenyl}-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
• IUPAC传统名: 1-(5-carboxypentyl)-2-{2-[7-(diethylamino)-4-hydroxy-2-oxochromen-3-yl]ethenyl}-3,3-dimethylindol-1-ium-5-sulfonate
• 别名: Fluorescent Red Mega 500

登记号

• CAS号: 540528-13-0
• MDL号: MFCD06798196
• PubChem SID: 162248363; 24880461
• PubChem CID: 54706719

理论计算性质

• Acid pKa: -1.8932384
• 质子受体: 8
• 质子供体: 2
• LogD (pH = 5.5): 2.1654103
• LogD (pH = 7.4): 0.28277385
• Log P: 1.3238181
• 摩尔折射率: 172.0598 cm^3
• 极化性: 61.55209 Å^3
• 极化表面积: 147.28 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 荧光: λex 508 nm; λem 608 nm in 0.1 M phosphate pH 7.0

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥90% (HPLC)
• 适用性: suitable for fluorescence
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C31H36N2O8S

详细说明

Sigma Aldrich - 56900

General description
Fluorescent red Mega 500 and other Mega dyes are specifically designed for multicolor techniques. It is characterized by an extremely large stoke′s shift between excitation and emission maxima. This dye is especially well suited for excitation by argon lasers or other short wavelength excitation light. This also means, that it can be excited with the same light source or filter arrangement than fluorescein and other widely used dyes as well as other Mega dye. Due to the different emission wavelength several different labels can be detected independently in the same experiment. Due to the small size of the Mega-labels and the direct conversion of excitation light into emission without using a FRET mechanism we foresee a variety of possible applications including DNA sequencing and FISH microscopy.