1-{4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}-N,N,2,2,4,11,11-heptamethyl-1,2,9,11-tetrahydro-1-azatetracen-9-iminium perchlorate

• ChemBase编号: 154122
• 分子式: C32H38ClN3O8
• 平均质量: 628.11242
• 单一同位素质量: 627.23474287
• SMILES: CC1=CC(N(c2c1cc1c(c2)C(C2=CC(=[N+](C)C)C=CC2=C1)(C)C)CCCC(=O)ON1C(=O)CCC1=O)(C)C.[O-][Cl](=O)(=O)=O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.O=C(ON1C(=O)CCC1=O)CCCN1c2cc3c(cc2C(=CC1(C)C)C)C=C1C(=CC(=[N+](C)C)C=C1)C3(C)C
• InChI: InChI=1S/C32H38N3O4.ClHO4/c1-20-19-31(2,3)34(14-8-9-30(38)39-35-28(36)12-13-29(35)37)27-18-26-22(16-24(20)27)15-21-10-11-23(33(6)7)17-25(21)32(26,4)5;2-1(3,4)5/h10-11,15-19H,8-9,12-14H2,1-7H3;(H,2,3,4,5)/q+1;/p-1
• InChIKey: TZOJKHWYZZHQDJ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 1-{4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}-N,N,2,2,4,11,11-heptamethyl-1,2,9,11-tetrahydro-1-azatetracen-9-iminium perchlorate
• IUPAC传统名: 1-{4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}-N,N,2,2,4,11,11-heptamethyl-1-azatetracen-9-iminium perchlorate
• 别名: Atto 635 NHS ester

登记号

• MDL号: MFCD05865407
• PubChem SID: 162248261; 24867186
• PubChem CID: 16212834

理论计算性质

• Acid pKa: 17.709116
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.0179005
• LogD (pH = 7.4): 1.0207188
• Log P: 1.0207549
• 摩尔折射率: 168.2713 cm^3
• 极化性: 58.6674 Å^3
• 极化表面积: 69.93 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 荧光: λex 624 nm; λem 655 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: ≥80% (coupling to amines)
• 适用性: suitable for fluorescence
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C32H38ClN3O8

详细说明

Sigma Aldrich - 43429

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.