1-(3-carboxypropyl)-N,N,2,2,4,11,11-heptamethyl-1,2,9,11-tetrahydro-1-azatetracen-9-iminium perchlorate

• ChemBase编号: 157248
• 分子式: C28H35ClN2O6
• 平均质量: 531.0403
• 单一同位素质量: 530.21836453
• SMILES: CC1=CC(N(c2c1cc1c(c2)C(C2=CC(=[N+](C)C)C=CC2=C1)(C)C)CCCC(=O)O)(C)C.[O-][Cl](=O)(=O)=O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.OC(=O)CCCN1c2cc3c(cc2C(=CC1(C)C)C)C=C1C(=CC(=[N+](C)C)C=C1)C3(C)C
• InChI: InChI=1S/C28H34N2O2.ClHO4/c1-18-17-27(2,3)30(12-8-9-26(31)32)25-16-24-20(14-22(18)25)13-19-10-11-21(29(6)7)15-23(19)28(24,4)5;2-1(3,4)5/h10-11,13-17H,8-9,12H2,1-7H3;(H,2,3,4,5)
• InChIKey: KIDFITUZQAFBTK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(3-carboxypropyl)-N,N,2,2,4,11,11-heptamethyl-1,2,9,11-tetrahydro-1-azatetracen-9-iminium perchlorate
• IUPAC传统名: 1-(3-carboxypropyl)-N,N,2,2,4,11,11-heptamethyl-1-azatetracen-9-iminium perchlorate
• 别名: Atto 635

登记号

• MDL号: MFCD05865406
• PubChem SID: 24846239; 162251385
• PubChem CID: 25164064

理论计算性质

• Acid pKa: 4.5074954
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.385361
• LogD (pH = 7.4): 2.4212215
• Log P: 1.901932
• 摩尔折射率: 147.7175 cm^3
• 极化性: 50.521084 Å^3
• 极化表面积: 43.55 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 荧光: λex 635 nm; λem 659 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: ≥90% (HPCE)
• 适用性: suitable for fluorescence
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C28H35ClN2O6

详细说明

Sigma Aldrich - 08968

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.
General description
Atto 635 is a new label with high molecular absorption (120,000) and quantum yield (0.25) as well as sufficient Stokes shift between excitation and emission maximum. This label is optimized for use with diode laser excitation at 635 nm and is characterized by high photostability.