potassium 2-(hydrogen phosphonatooxy)prop-2-enoic acid

• ChemBase编号: 133861
• 分子式: C3H4KO6P
• 平均质量: 206.132321
• 单一同位素质量: 205.93825616
• SMILES: C=C(C(=O)O)OP(=O)(O)[O-].[K+]
• Canonical SMILES: OC(=O)C(=C)OP(=O)(O)[O-].[K+]
• InChI: InChI=1S/C3H5O6P.K/c1-2(3(4)5)9-10(6,7)8;/h1H2,(H,4,5)(H2,6,7,8);/q;+1/p-1
• InChIKey: SOSDSEAIODNVPX-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: potassium 2-(hydrogen phosphonatooxy)prop-2-enoic acid
• IUPAC传统名: potassium 2-(hydrogen phosphonatooxy)prop-2-enoic acid
• 别名: PEP 单钾盐; 磷酸烯醇丙酮酸盐 钾盐; 磷酸烯醇丙酮酸酯一钾; 2-(膦酰氧基)-2-丙烯酸 单钾盐; 磷酸烯醇丙酮酸单钾盐; 磷烯醇丙酮酸 单钾盐; PEP monopotassium salt; Phospho(enol)pyruvate potassium salt; mono-Potassium phosphoenolpyruvate; Monopotassium phosphoenolpyruvate; Phosphoenolpyruvic acid monopotassium salt; PEP-K; Phospho(enol)pyruvic acid monopotassium salt

登记号

• CAS号: 4265-07-0
• EC号: 224-247-0
• MDL号: MFCD00044476
• Beilstein号: 4603446
• PubChem SID: 24888496; 162228138; 24898822
• PubChem CID: 23678879

理论计算性质

• Acid pKa: 0.7594135
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): -5.068693
• LogD (pH = 7.4): -7.721958
• Log P: -0.63957554
• 摩尔折射率: 29.01 cm^3
• 极化性: 11.825219 Å^3
• 极化表面积: 106.89 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

• 熔点: 175 °C (dec.)(lit.); ca 170°C dec.

安全信息

• 保存注意事项: Hygroscopic
• 德国WGK号: 3
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥97% (enzymatic); 99%
• 成盐信息: K+
• 线性分子式: KOP(O)(OH)OC(=CH2)CO2H
• 分类: Rare Derivatives of Natural Compounds

详细说明

Sigma Aldrich - P7127

Biochem/physiol Actions
Phospho(enol)pyruvic acid (PEP) is involved in glycolysis and gluconeogeneis. In glycolysis, PEP is metabolized by Pyruvate Kinase to yield pyruvate. In plants, PEP is involved in the formation of aromatic amino acids as well as in the carbon fixation pathway.

Sigma Aldrich - 860077

Application
许多激酶反应的底物。
包装
1 g in glass bottle
250 mg in glass bottle

参考文献

• Used for regeneration of ATP from ADP in enzyme-catalyzed syntheses: J. Org. Chem., 47, 3765 (1982); 50,1076 (1985); J. Am. Chem. Soc., 107, 7019 (1985).