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

• ChemBase编号: 154150
• 分子式: C26H30N2O7S
• 平均质量: 514.5906
• 单一同位素质量: 514.17737231
• SMILES: CCN(CC)c1ccc2cc(c(=O)oc2c1)/C=C/c1cc[n+](cc1S(=O)(=O)[O-])CCCCCC(=O)O
• Canonical SMILES: CCN(c1ccc2c(c1)oc(=O)c(c2)/C=C/c1cc[n+](cc1S(=O)(=O)[O-])CCCCCC(=O)O)CC
• InChI: InChI=1S/C26H30N2O7S/c1-3-28(4-2)22-12-11-20-16-21(26(31)35-23(20)17-22)10-9-19-13-15-27(18-24(19)36(32,33)34)14-7-5-6-8-25(29)30/h9-13,15-18H,3-8,14H2,1-2H3,(H-,29,30,32,33,34)
• InChIKey: ITOJDWVAIOLCMZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(5-carboxypentyl)-4-{2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]ethenyl}pyridin-1-ium-3-sulfonate
• IUPAC传统名: 1-(5-carboxypentyl)-4-{2-[7-(diethylamino)-2-oxochromen-3-yl]ethenyl}pyridin-1-ium-3-sulfonate
• 别名: 6-[4-(7-Diethylamino-2-oxo-1-benzopyran-3-ylvinyl)-3-sulfonatopyridinio]hexanoic acid; Fluorescent Red Mega 520

登记号

• CAS号: 540528-09-4
• MDL号: MFCD06798178
• PubChem SID: 162248289; 24865840
• PubChem CID: 16212667

理论计算性质

• Acid pKa: -2.185495
• 质子受体: 7
• 质子供体: 1
• LogD (pH = 5.5): -2.9165013
• LogD (pH = 7.4): -2.9484644
• Log P: -4.373152
• 摩尔折射率: 138.4854 cm^3
• 极化性: 52.683174 Å^3
• 极化表面积: 127.92 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 527 nm; λem 663 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: ≥97.0% (HPLC)
• 适用性: suitable for fluorescence
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C26H30N2O7S

详细说明

Sigma Aldrich - 41306

General description
Fluorescent red Mega 520 and other Mega dyes are specifically designed for multicolor techniques. It is characterized by an extremely large stokes 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 as fluorescein and other widely used dyes, as well as other Mega dyes. Due to the different emission wavelengths 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, there is a variety of possible applications including DNA sequencing and FISH microscopy.