$l^{2}-lead(2+) ion 1-(phosphonatooxy)propan-1-ol

• ChemBase编号: 110953
• 分子式: C3H7O5PPb
• 平均质量: 361.258441
• 单一同位素质量: 361.97976195
• SMILES: [Pb+2].CCC(O)OP(=O)([O-])[O-]
• Canonical SMILES: CCC(OP(=O)([O-])[O-])O.[Pb+2]
• InChI: InChI=1S/C3H9O5P.Pb/c1-2-3(4)8-9(5,6)7;/h3-4H,2H2,1H3,(H2,5,6,7);/q;+2/p-2
• InChIKey: IGLSIDKWWHNUNA-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: $l^{2}-lead(2+) ion 1-(phosphonatooxy)propan-1-ol
• IUPAC传统名: $l^{2}-lead(2+) ion 1-(phosphonatooxy)propan-1-ol
• 别名: PROPANEDIOL PHOSPHATE LEAD SALT

登记号

• PubChem SID: 162106499
• PubChem CID: 44135693

理论计算性质

• Acid pKa: 1.48007
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.7601075
• LogD (pH = 7.4): -3.634624
• Log P: -0.35573816
• 摩尔折射率: 27.3037 cm^3
• 极化性: 11.882653 Å^3
• 极化表面积: 92.65 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05217152

MP Biomedicals Rare Chemical collection