zinc(2+) ion 3-(phosphonatooxy)propane-1,2-diol

• ChemBase编号: 111587
• 分子式: C3H7O6PZn
• 平均质量: 235.437841
• 单一同位素质量: 233.92716657
• SMILES: [Zn+2].OCC(O)COP(=O)([O-])[O-]
• Canonical SMILES: OCC(COP(=O)([O-])[O-])O.[Zn+2]
• InChI: InChI=1S/C3H9O6P.Zn/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2
• InChIKey: DQXVMBVYXZWEAR-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: zinc(2+) ion 3-(phosphonatooxy)propane-1,2-diol
• IUPAC传统名: zinc, ion (zn2+) glyceryl phosphate
• 别名: ZINC GLYCEROPHOSPHATE

登记号

• PubChem SID: 162105786
• PubChem CID: 102601

理论计算性质

• Acid pKa: 1.5077547
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): -4.366909
• LogD (pH = 7.4): -5.247459
• Log P: -1.9625801
• 摩尔折射率: 29.1456 cm^3
• 极化性: 12.625253 Å^3
• 极化表面积: 112.88 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05219959

MP Biomedicals Rare Chemical collection