(2S)-2-amino(2H4)propanoic acid

• ChemBase编号: 150514
• 分子式: C3H7NO2
• 平均质量: 89.09318
• 单一同位素质量: 89.04767847
• SMILES: [C@@H](C(=O)O)(C)N
• Canonical SMILES: C[C@@H](C(=O)O)N
• InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
• InChIKey: QNAYBMKLOCPYGJ-REOHCLBHSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-amino(^2H₄)propanoic acid
• IUPAC传统名: (2S)-2-amino(^2H₄)propanoic acid
• 别名: L-丙氨酸-2,3,3,3-d4; L-Alanine-2,3,3,3-d4; (2S)-2-Aminopropanoic Acid-d4; (S)-(+)-Alanine-d4; (S)-2-Aminopropanoic Acid-d4; (S)-Alanine-d4; L-(+)-Alanine-d4; L-2-Aminopropanoic Acid-d4; L-2-Aminopropionic Acid-d4; L-α-Alanine-d4; L-α-Aminopropionic Acid-d4; Lactamine-d4; NSC 206315-d4; α-Alanine-d4; α-Aminopropionic Acid-d4; L-Alanine-d4

登记号

• CAS号: 18806-29-6
• MDL号: MFCD00084109
• PubChem SID: 162244675; 24872142
• PubChem CID: 12205373

理论计算性质

• Acid pKa: 2.4748974
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -2.840927
• LogD (pH = 7.4): -2.843974
• Log P: -2.840788
• 摩尔折射率: 20.4973 cm^3
• 极化性: 8.358352 Å^3
• 极化表面积: 63.32 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Water
• 外观: White Solid
• 熔点: >250°C (dec.); 314.5 °C (dec.)(lit.)
• 比旋光度: [α]25/D +14.5°, c = 2 in 1 M HCl
• 质量偏移: M+4

安全信息

• 保存条件: Refrigerator
• 德国WGK号: 1

产品相关信息

• 同位素纯度: 98 atom % D
• Mol. Weight: mol wt 93.04 by atom % calculation
• 线性分子式: CD3CD(NH2)CO2H

详细说明

Sigma Aldrich - 485845

包装
1 g 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 - A481502

Labelled L-alanine used to make in-vivo measurement of glucose and alanine metabolism in studies of patients with diabetes. L-Alanine is a non-essential amino acid for human development. L-Alanine is one of the 20 amino acids encoded by the genetic code

参考文献

• Bier, D.M. et al.: Diabetes, 26, 1005 (1977)
• Capaldo, B. et al.: J. Clin. Endocrinol. Metab., 71, 1220 (1977)
• Giacca, A. et al.: Diabetes, 47, 1763 (1977)