potassium 2-hydroxypropanoate

• ChemBase编号: 110951
• 分子式: C3H5KO3
• 平均质量: 128.1683
• 单一同位素质量: 127.9875757
• SMILES: [K+].CC(O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(O)C.[K+]
• InChI: InChI=1S/C3H6O3.K/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1
• InChIKey: PHZLMBHDXVLRIX-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: potassium 2-hydroxypropanoate
• IUPAC传统名: potassium lactate; potassium ion lactate
• 别名: Potassium lactate; POTASSIUM LACTATE, 50% SOLUTION

登记号

• CAS号: 85895-78-9; 996-31-6
• PubChem SID: 162103037
• PubChem CID: 23671663; 61248
• ATC码: B05XA15
• CHEMBL: 1200664
• Chemspider ID: 55189
• 维基百科标题: Potassium_lactate

理论计算性质

• Acid pKa: 3.7849424
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.1885695
• LogD (pH = 7.4): -3.7410624
• Log P: -0.4718295
• 摩尔折射率: 29.6769 cm^3
• 极化性: 7.4274864 Å^3
• 极化表面积: 60.36 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05217140

MP Biomedicals Rare Chemical collection