(2S)-2,6-diaminohexanoic acid; (2S)-2-hydroxybutanedioic acid

• ChemBase编号: 172344
• 分子式: C10H20N2O7
• 平均质量: 280.275
• 单一同位素质量: 280.12705099
• SMILES: [C@@H](CCCCN)(N)C(=O)O.C([C@H](O)C(=O)O)C(=O)O
• Canonical SMILES: OC(=O)C[C@@H](C(=O)O)O.NCCCC[C@@H](C(=O)O)N
• InChI: InChI=1S/C6H14N2O2.C4H6O5/c7-4-2-1-3-5(8)6(9)10;5-2(4(8)9)1-3(6)7/h5H,1-4,7-8H2,(H,9,10);2,5H,1H2,(H,6,7)(H,8,9)/t5-;2-/m00/s1
• InChIKey: NWZSZGALRFJKBT-KNIFDHDWSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2,6-diaminohexanoic acid; (2S)-2-hydroxybutanedioic acid
• IUPAC传统名: (-)-malic acid; L-lysine
• 别名: L-Lysine (2S)-2-Hydroxybutanedioate; (S)-Hydroxybutanedioic Acid compd. with L-Lysine; L-Lysine L-Malate

登记号

• CAS号: 71555-10-7
• PubChem SID: 164228254
• PubChem CID: 71749819

理论计算性质

• Acid pKa: 2.7382863
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -5.9555907
• LogD (pH = 7.4): -4.978252
• Log P: -3.2145348
• 摩尔折射率: 37.8095 cm^3
• 极化性: 15.365045 Å^3
• 极化表面积: 89.34 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - L468910

L-Lysine L-Malate is used in the preparation of amino acid ionic liquids for use in food and medical field.