2-aminopentanedioic acid

• ChemBase编号: 127582
• 分子式: C5H9NO4
• 平均质量: 147.12926
• 单一同位素质量: 147.05315777
• SMILES: C(CC(=O)O)C(C(=O)O)N
• Canonical SMILES: OC(=O)CCC(C(=O)O)N
• InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
• InChIKey: WHUUTDBJXJRKMK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-aminopentanedioic acid
• IUPAC系统名: 2-Aminopentanedioic acid
• IUPAC传统名: glutaminsaeure; α-aminoglutarate
• 别名: (±)-Glutamic Acid; DL-Glu; Glutaminic Acid; NSC 206301; NSC 9967; DL-Glutamic Acid; 2-Aminoglutaric acid; Glutamic acid

登记号

• CAS号: 617-65-2
• MDL号: MFCD00063113
• PubChem SID: 162221901
• PubChem CID: 611
• CHEBI ID: 18237
• CHEMBL: 276389
• Chemspider ID: 591
• KEGG ID: D04341
• 美国药典/FDA物质标识码: 61LJO5I15S
• 维基百科标题: Glutamic_acid

理论计算性质

• Acid pKa: 1.8777773
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): -4.4458017
• LogD (pH = 7.4): -6.180975
• Log P: -3.241447
• 摩尔折射率: 31.2877 cm^3
• 极化性: 12.69048 Å^3
• 极化表面积: 100.62 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

• 溶解度: 0.00035g/100g ethanol 25 degC; 8.64 g/l (25 °C) in water
• 外观: white crystalline powder
• 熔点: 199 °C decomp.
• 密度: 1.4601 (20 °C)

安全信息

• NFPA704:
  

  1

  1

  0

产品相关信息

• 纯度: 95+%

详细说明

Toronto Research Chemicals - G596955

Glutamic Acid is non-essential amino acid. Its salt form (glutamate) is an important neurotransmitter that plays a key role in long-term potentiation and is important for learning and memory. Glutamic Acid is also a key molecule in cellular metabolism.

参考文献

• McEntee, W. et al.: Psychopharmacology, 111, 391 (1993)
• Manev, H. et al.: Mol. Pharmacol., 36, 106 (1993)