6-(dimethylamino)-10-(3-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]carbamoyl}propyl)-N,N-dimethyl-3,10-dihydroacridin-3-iminium perchlorate

• ChemBase编号: 154172
• 分子式: C27H32ClN5O7
• 平均质量: 574.02528
• 单一同位素质量: 573.19902607
• SMILES: CN(C)c1ccc2cc3ccc(=[N+](C)C)cc3n(c2c1)CCCC(=O)NCCN1C(=O)C=CC1=O.[O-][Cl](=O)(=O)=O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.O=C(CCCn1c2cc(ccc2cc2c1cc(=[N+](C)C)cc2)N(C)C)NCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C27H31N5O3.ClHO4/c1-29(2)21-9-7-19-16-20-8-10-22(30(3)4)18-24(20)31(23(19)17-21)14-5-6-25(33)28-13-15-32-26(34)11-12-27(32)35;2-1(3,4)5/h7-12,16-18H,5-6,13-15H2,1-4H3;(H,2,3,4,5)
• InChIKey: IEQSJFQKROSLEM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(dimethylamino)-10-(3-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]carbamoyl}propyl)-N,N-dimethyl-3,10-dihydroacridin-3-iminium perchlorate
• IUPAC传统名: 6-(dimethylamino)-10-(3-{[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamoyl}propyl)-N,N-dimethylacridin-3-iminium perchlorate
• 别名: Atto 495 maleimide

登记号

• MDL号: MFCD07370103
• PubChem SID: 162248311
• PubChem CID: 25164078

理论计算性质

• Acid pKa: 15.415712
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -3.3883007
• LogD (pH = 7.4): -2.1101046
• Log P: -1.9932841
• 摩尔折射率: 154.6192 cm^3
• 极化性: 51.70192 Å^3
• 极化表面积: 75.97 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 荧光: λex 500 nm; λem 524 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: -20°C

产品相关信息

• 适用性: corresponds to standard for coupling to thiols; suitable for fluorescence
• 产品线: BioReagent

详细说明

Sigma Aldrich - 41022

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.