11-(3-carboxypropyl)-1-ethyl-10,10-dimethyl-8-(sulfonatomethyl)-2,3,4,8,9,10-hexahydro-1H-13-oxa-1,6,11-triazapentacen-11-ium

• ChemBase编号: 155885
• 分子式: C27H33N3O6S
• 平均质量: 527.63242
• 单一同位素质量: 527.20900679
• SMILES: CCN1CCCc2c1cc1c(c2)N=c2cc3c(=[N+](C(CC3CS(=O)(=O)[O-])(C)C)CCCC(=O)O)cc2O1
• Canonical SMILES: CCN1CCCc2c1cc1Oc3cc4=[N+](CCCC(=O)O)C(CC(c4cc3=Nc1c2)CS(=O)(=O)[O-])(C)C
• InChI: InChI=1S/C27H33N3O6S/c1-4-29-9-5-7-17-11-20-24(13-22(17)29)36-25-14-23-19(12-21(25)28-20)18(16-37(33,34)35)15-27(2,3)30(23)10-6-8-26(31)32/h11-14,18H,4-10,15-16H2,1-3H3,(H-,31,32,33,34,35)
• InChIKey: FOYVTVSSAMSORJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 11-(3-carboxypropyl)-1-ethyl-10,10-dimethyl-8-(sulfonatomethyl)-2,3,4,8,9,10-hexahydro-1H-13-oxa-1,6,11-triazapentacen-11-ium
• IUPAC传统名: 1-(3-carboxypropyl)-11-ethyl-2,2-dimethyl-4-(sulfonatomethyl)-4,8,9,10-tetrahydro-3H-13-oxa-1,6,11-triazapentacen-1-ium
• 别名: Atto 655

登记号

• MDL号: MFCD03456136
• PubChem SID: 162250023
• PubChem CID: 16218785

理论计算性质

• Acid pKa: -0.8377157
• 质子受体: 8
• 质子供体: 1
• LogD (pH = 5.5): 0.50318265
• LogD (pH = 7.4): -1.2182324
• Log P: -0.53058445
• 摩尔折射率: 155.592 cm^3
• 极化性: 54.132797 Å^3
• 极化表面积: 122.34 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 荧光: λex 655 nm; λem 680 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

• 纯度: ≥85% (HPLC)
• 适用性: suitable for fluorescence
• 产品线: BioReagent

详细说明

Sigma Aldrich - 93711

Application
Atto labels are designed for highest sensitivity applications. A unique combination of advantages makes them highly favorable tools for all kinds of labeling applications. Some of their properties make them specifically interesting for single molecule detection. Atto labels are based on rigid structures and do not show any cis-trans-isomerization, which lowers the brightness of signals and leads to environment dependency, e.g., spectral shifts by conjugation. Atto 655 shows a molar extinction of 110,000 and QY of 30% in water (50% in ethanol). Decay time is 1.9 ns.
Other Notes
New red absorbing fluorescent dye with best signal-to-noise ratio and long fluorescence life-time. Useful as a biophysical probe for binding interactions.1