17-azido-3,6,9,12,15-pentaoxaheptadecan-1-ol

• ChemBase编号: 161025
• 分子式: C12H25N3O6
• 平均质量: 307.3434
• 单一同位素质量: 307.17433554
• SMILES: C(COCCOCCOCCOCCOCCN=[N+]=[N-])O
• Canonical SMILES: OCCOCCOCCOCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C12H25N3O6/c13-15-14-1-3-17-5-7-19-9-11-21-12-10-20-8-6-18-4-2-16/h16H,1-12H2
• InChIKey: DPRULTZUGLDCPZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 17-azido-3,6,9,12,15-pentaoxaheptadecan-1-ol
• IUPAC传统名: 17-azido-3,6,9,12,15-pentaoxaheptadecan-1-ol
• 别名: 14-Azido-3,6,9,12-tetraoxatetradecan-1-ol; 1-Azidohexaethylene Glycol

登记号

• CAS号: 86770-68-5
• PubChem SID: 162255160
• PubChem CID: 57570866

理论计算性质

• Acid pKa: 15.121156
• 质子受体: 8
• 质子供体: 1
• LogD (pH = 5.5): -0.73725784
• LogD (pH = 7.4): -0.73725784
• Log P: -0.6232122
• 摩尔折射率: 76.0636 cm^3
• 极化性: 29.359732 Å^3
• 极化表面积: 95.81 Å^2
• 可自由旋转的化学键: 17
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - A850020

A polyethyleneglycol (PEG) derivative used in the preparation of diverse targeted microenvironmental sensors.

参考文献

• Benink, H.A. et al.: BioTchniques, 47, 769 (2009)