ethyl 6,8,8-trimethyl-2-oxo-9-(3-{[5-(5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl}pentanamido)pentyl]carbamoyl}propyl)-2H,6H,7H,8H,9H-chromeno[7,6-b]pyridine-3-carboxylate

• ChemBase编号: 155906
• 分子式: C37H53N5O7S
• 平均质量: 711.91102
• 单一同位素质量: 711.36657006
• SMILES: CCOC(=O)c1cc2cc3c(cc2oc1=O)N(C(CC3C)(C)C)CCCC(=O)NCCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2
• Canonical SMILES: CCOC(=O)c1cc2cc3C(C)CC(N(c3cc2oc1=O)CCCC(=O)NCCCCCNC(=O)CCCCC1SCC2C1NC(=O)N2)(C)C
• InChI: InChI=1S/C37H53N5O7S/c1-5-48-34(45)26-19-24-18-25-23(2)21-37(3,4)42(28(25)20-29(24)49-35(26)46)17-11-14-32(44)39-16-10-6-9-15-38-31(43)13-8-7-12-30-33-27(22-50-30)40-36(47)41-33/h18-20,23,27,30,33H,5-17,21-22H2,1-4H3,(H,38,43)(H,39,44)(H2,40,41,47)
• InChIKey: LPVYZZMUDCZDQO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 6,8,8-trimethyl-2-oxo-9-(3-{[5-(5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl}pentanamido)pentyl]carbamoyl}propyl)-2H,6H,7H,8H,9H-chromeno[7,6-b]pyridine-3-carboxylate
• IUPAC传统名: atto 425 biotin derivative
• 别名: Biotin-Atto 425; Atto 425-Biotin

登记号

• MDL号: MFCD04974818
• PubChem SID: 162250044; 24857234
• PubChem CID: 16211840

理论计算性质

• Acid pKa: 13.490352
• 质子受体: 6
• 质子供体: 4
• LogD (pH = 5.5): 3.6791122
• LogD (pH = 7.4): 3.6900818
• Log P: 3.6902237
• 摩尔折射率: 194.2551 cm^3
• 极化性: 74.78161 Å^3
• 极化表面积: 155.17 Å^2
• 可自由旋转的化学键: 18
• 里宾斯基五规则: false

分子性质

理化性质

• 荧光: λex 437 nm; λem 483 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: ≥95.0% (HPCE)
• 适用性: suitable for fluorescence
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C37H53N5O7S

详细说明

Sigma Aldrich - 28616

General description
Atto 425 is a new label with high quantum yield (0.90) as well as sufficient stoke′s shift (excitation maximum 436 nm, emission maximum 484 nm). It is optimized for excitation with argon laser, and is characterized by high photostability. It does nearly not show cis-trans-isomerization, which limits brightness and reproducibility for many other dyes.