sodium [hydroxy(phenyl)methyl]phosphinate

• ChemBase编号: 170280
• 分子式: C7H8NaO3P
• 平均质量: 194.100151
• 单一同位素质量: 194.01087503
• SMILES: c1ccc(cc1)C(P(=O)[O-])O.[Na+]
• Canonical SMILES: OC(c1ccccc1)P(=O)[O-].[Na+]
• InChI: InChI=1S/C7H9O3P.Na/c8-7(11(9)10)6-4-2-1-3-5-6;/h1-5,7-8,11H,(H,9,10);/q;+1/p-1
• InChIKey: UVDFAEQYRCPBRQ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium [hydroxy(phenyl)methyl]phosphinate
• IUPAC传统名: sodium hydroxy(phenyl)methylphosphinate
• 别名: P-(Hydroxyphenylmethyl)phosphinic Acid Sodium Salt; (Hydroxyphenylmethyl)phosphinic Acid Sodium Salt; (α-Hydroxybenzyl)phosphonous Acid Sodium Salt; Phos; Phoselit; Phosilite; α-Hydroxybenzylphosphinic Acid Sodium Salt

登记号

• CAS号: 7492-18-4
• PubChem SID: 164226190
• PubChem CID: 23675756

理论计算性质

• Acid pKa: 1.5214483
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.8593495
• LogD (pH = 7.4): -1.8674954
• Log P: 0.3962
• 摩尔折射率: 40.3184 cm^3
• 极化性: 16.44057 Å^3
• 极化表面积: 60.36 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - H829960

The Na salt of α-hydroxybenzylphosphinic acid (Phos) is a prototype. It is harmless. Like insulin, it promotes the formation of glycogen in the isolated rat diaphragm in oxygenated glucose-Ringer solution and decreases the breakdown of glycogen provoked b

参考文献

• Blum, F., et al.: Helvetica Physiologica Pharmacologica Acta, 8, 272 (1950)