9-(2-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]carbamoyl}ethyl)-N-ethyl-6-(ethylamino)-2,7-dimethyl-3H-xanthen-3-iminium perchlorate

• ChemBase编号: 153725
• 分子式: C28H33ClN4O8
• 平均质量: 589.03662
• 单一同位素质量: 588.19869172
• SMILES: CCNc1cc2c(cc1C)c(c1cc(/c(=[NH+]/CC)/cc1o2)C)CCC(=O)NCCN1C(=O)C=CC1=O.[O-][Cl](=O)(=O)=O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.CCNc1cc2oc3c/c(=[NH+]\CC)/c(cc3c(c2cc1C)CCC(=O)NCCN1C(=O)C=CC1=O)C
• InChI: InChI=1S/C28H32N4O4.ClHO4/c1-5-29-22-15-24-20(13-17(22)3)19(21-14-18(4)23(30-6-2)16-25(21)36-24)7-8-26(33)31-11-12-32-27(34)9-10-28(32)35;2-1(3,4)5/h9-10,13-16,29H,5-8,11-12H2,1-4H3,(H,31,33);(H,2,3,4,5)
• InChIKey: DGEQWOHLXNEPEL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9-(2-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]carbamoyl}ethyl)-N-ethyl-6-(ethylamino)-2,7-dimethyl-3H-xanthen-3-iminium perchlorate
• IUPAC传统名: 9-(2-{[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamoyl}ethyl)-N-ethyl-6-(ethylamino)-2,7-dimethylxanthen-3-iminium perchlorate
• 别名: Atto 520 maleimide

登记号

• PubChem SID: 24850149; 162247864
• PubChem CID: 25164073

理论计算性质

• Acid pKa: 15.3465185
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): 1.2717911
• LogD (pH = 7.4): 2.2142866
• Log P: 2.2587552
• 摩尔折射率: 156.0282 cm^3
• 极化性: 53.006382 Å^3
• 极化表面积: 101.71 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: acetonitrile: soluble; DMF: soluble; DMSO: soluble

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: -20°C

产品相关信息

• 纯度: ≥90% (coupling rate)
• 级别: for fluorescence
• 适用性: passes test for fluorescence
• Empirical Formula (Hill Notation): C28H33ClN4O8

详细说明

Sigma Aldrich - 16590

Application
Atto fluorescent labels are designed for high sensitivity applications, including single molecule detection. Atto labels have rigid structures that do not show any cis-trans-isomerization. Thus these labels display exceptional intensity with minimal spectral shift on conjugation.
Atto 520 maleimide utilized for labeling sulfhydryl (thiol) groups of proteins, especially cysteine residues, to fluorescently study changes in conformation, binding, and kinetics 1,2.