(2S)-2-amino(2H5)pentanedioic acid

• ChemBase编号: 139728
• 分子式: C5H9NO4
• 平均质量: 147.12926
• 单一同位素质量: 147.05315777
• SMILES: [C@@H](C(=O)O)(CCC(=O)O)N
• Canonical SMILES: OC(=O)CC[C@@H](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)/t3-/m0/s1
• InChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-amino(^2H₅)pentanedioic acid
• IUPAC传统名: (2S)-2-amino(^2H₅)pentanedioic acid
• 别名: (2S)-2-Aminopentanedioic Acid-d5; (S)-(+)-Glutamic Acid-d5; (S)-2-Amino-1,5-pentanedioic Acid-d5; (S)-2-Aminopentanedioic Acid-d5; 1-Aminopropane-1,3-dicarboxylic Acid-d5; Glusate-d5; Glutacid-d5; Glutamicol-d5; Glutamidex-d5; Glutaminol-d5; Glutaton-d5; L-(+)-Glutamic Acid-d5; L-α-Aminoglutaric Acid-d5; α-Glutamic Acid; L-Glutamic Acid-d5; L-Glutamic acid-2,3,3,4,4-d5

登记号

• CAS号: 2784-50-1
• MDL号: MFCD00144590
• PubChem SID: 162233976
• PubChem CID: 12248503

理论计算性质

• 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
• 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

分子性质

理化性质

• 溶解度: Water
• 外观: White Solid
• 熔点: 188-193°C; 205 °C (dec.)(lit.)
• 比旋光度: [α]25/D +31°, c = 2 in 5 M HCl
• 质量偏移: M+5

安全信息

• 保存条件: Refrigerator
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 同位素纯度: 98 atom % D
• Mol. Weight: mol wt 152.06 by atom % calculation
• 线性分子式: HO2C(CD2)2CD(NH2)CO2H

详细说明

Sigma Aldrich - 616281

包装
100 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Toronto Research Chemicals - G596963

A 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. It 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)