2,5-dioxopyrrolidin-1-yl 2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetate

• ChemBase编号: 156314
• 分子式: C16H13NO7
• 平均质量: 331.27692
• 单一同位素质量: 331.06920176
• SMILES: COc1ccc2c(cc(=O)oc2c1)CC(=O)ON1C(=O)CCC1=O
• Canonical SMILES: COc1ccc2c(c1)oc(=O)cc2CC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C16H13NO7/c1-22-10-2-3-11-9(6-15(20)23-12(11)8-10)7-16(21)24-17-13(18)4-5-14(17)19/h2-3,6,8H,4-5,7H2,1H3
• InChIKey: XYBYCKCNAJSBQE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dioxopyrrolidin-1-yl 2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetate
• IUPAC传统名: 2,5-dioxopyrrolidin-1-yl 2-(7-methoxy-2-oxochromen-4-yl)acetate
• 别名: 7-Methoxy-4-coumarinacetic acid N-succinimidyl ester; N-Succinimidyl 7-methoxy-4-coumarinylacetate; 7-Methoxy-4-coumarinylacetic acid N-succinimidyl ester; 1-[[(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]oxy]-2,5-Pyrrolidinedione; 7-Methoxycoumarin-4-acetic Acid N-Succinimidyl Ester

登记号

• CAS号: 359436-89-8
• MDL号: MFCD01863413
• PubChem SID: 24889319; 162250452
• PubChem CID: 1268292

理论计算性质

• Acid pKa: 17.708063
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.41899523
• LogD (pH = 7.4): 0.41899523
• Log P: 0.41899523
• 摩尔折射率: 79.114 cm^3
• 极化性: 30.7529 Å^3
• 极化表面积: 99.21 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Acetone; Chloroform; DMSO
• 外观: White Solid
• 熔点: 205-211°C (dec.)
• 荧光: λex 324 nm; λem 394 nm in 0.1 M phosphate pH 7.0

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere
• 保存注意事项: Moisture Sensitive
• 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% (coupling rate)
• 级别: for fluorescence
• Empirical Formula (Hill Notation): C16H13NO7

详细说明

Sigma Aldrich - 92206

Other Notes
Fluorescent marker for peptides1