lithium(1+) ion (3R)-3,5-dihydroxy-3-methylpentanoate

• ChemBase编号: 154631
• 分子式: C6H11LiO4
• 平均质量: 154.09014
• 单一同位素质量: 154.08173838
• SMILES: [Li+].CC(CCO)(CC(=O)[O-])O
• Canonical SMILES: OCCC(CC(=O)[O-])(O)C.[Li+]
• InChI: InChI=1S/C6H12O4.Li/c1-6(10,2-3-7)4-5(8)9;/h7,10H,2-4H2,1H3,(H,8,9);/q;+1/p-1/t6-;/m1./s1
• InChIKey: PVWNXFFXFNEHDZ-FYZOBXCZSA-M

名称和登记号

名称

• IUPAC标准名: lithium(1+) ion (3R)-3,5-dihydroxy-3-methylpentanoate
• IUPAC传统名: lithium(1+) ion (R)-mevalonate
• 别名: Lithium (R)-3,5-dihydroxy-3-methylpentanoate; Lithium (R)-3,5-dihydroxy-3-methylvalerate; (R)-Mevalonic acid lithium salt

登记号

• MDL号: MFCD18632545
• PubChem SID: 162248769
• PubChem CID: 55296253

理论计算性质

• Acid pKa: 4.384681
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -2.2391148
• LogD (pH = 7.4): -3.993144
• Log P: -1.0933796
• 摩尔折射率: 45.3485 cm^3
• 极化性: 13.548565 Å^3
• 极化表面积: 80.59 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 比旋光度: [α]/D -22.0±3.0°, c = 0.1 in 1 M HCl (3 h)

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H319
• GHS警示性声明: P305 + P351 + P338
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥93.0% (qNMR)
• Empirical Formula (Hill Notation): C6H11LiO4

详细说明

Sigma Aldrich - 50838

Biochem/physiol Actions
Mevalonic acid1,2, is an intermediate in the mevalonate pathway, producing terpenes and steroids. This function provides treatment options metabolic disorders3,4,5,6,7,8, R-mevalonate accumulates in patients with the autosomal recessively inherited mevalonic acidurias, an inborn error of cholesterol and nonsterol isoprene biosynthesis9.