aluminium(3+) ion trihydrogen (2H5)ethylphosphonate

• ChemBase编号: 168721
• 分子式: C6H21AlO9P3
• 平均质量: 357.128361
• 单一同位素质量: 357.02138077
• SMILES: [O-]P(=O)(CC)O.[AlH3+3].[O-]P(=O)(CC)O.[O-]P(=O)(CC)O
• Canonical SMILES: CCP(=O)(O)[O-].CCP(=O)(O)[O-].CCP(=O)(O)[O-].[AlH3+3]
• InChI: InChI=1S/3C2H7O3P.Al/c3*1-2-6(3,4)5;/h3*2H2,1H3,(H2,3,4,5);/q;;;+3/p-3
• InChIKey: UAIWAFWEELVJEP-UHFFFAOYSA-K

名称和登记号

名称

• IUPAC标准名: aluminium(3+) ion trihydrogen (^2H₅)ethylphosphonate
• IUPAC传统名: aluminium(3+) ion trihydrogen (^2H₅)ethylphosphonate
• 别名: Ethyl-d5 Phosphonate Aluminium Salt

登记号

• PubChem SID: 162262853
• PubChem CID: 71316657

理论计算性质

• Acid pKa: 1.8151855
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -3.119756
• LogD (pH = 7.4): -3.1881628
• Log P: -0.8309317
• 摩尔折射率: 20.9287 cm^3
• 极化性: 8.689992 Å^3
• 极化表面积: 60.36 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Water
• 外观: Pale White Powder
• 熔点: >300°C

详细说明

Toronto Research Chemicals - E925470

Used as a plant fungicide.