2-amino(1,2-13C2)acetic acid

• ChemBase编号: 148251
• 分子式: C2H5NO2
• 平均质量: 78.04531857
• 单一同位素质量: 78.03577297
• SMILES: [13CH2]([13C](=O)O)[15NH2]
• Canonical SMILES: [15NH2][13CH2][13C](=O)O
• InChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1,2+1,3+1
• InChIKey: DHMQDGOQFOQNFH-VMIGTVKRSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino(1,2-^1^3C₂)acetic acid
• IUPAC传统名: amino(^1^3C₂)acetic acid
• 别名: 甘氨酸-13C2,15N; Glycine-13C2,15N; 2-Aminoacetic Acid-13C2,15N; Aciport-13C2,15N; Aminoethanoic Acid-13C2,15N; Glicoamin-13C2,15N; Glycocoll-13C2,15N; Glycolixir-13C2,15N; Glycosthene-13C2,15N; Gyn-Hydralin-13C2,15N; NSC 25936; NSC 2916-13C2,15N; NSC 54188-13C2,15N; Padil-13C2,15N; Glycine-13C2,15N

登记号

• CAS号: 211057-02-2
• MDL号: MFCD00083979
• PubChem SID: 162242427; 24872490
• PubChem CID: 16213439

理论计算性质

• Acid pKa: 2.307457
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -3.4094565
• LogD (pH = 7.4): -3.4150424
• Log P: -3.4094596
• 摩尔折射率: 16.0034 cm^3
• 极化性: 6.549665 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: 229-231°C; 240 °C (dec.)(lit.)
• 质量偏移: M+3

安全信息

• 保存条件: Refrigerator
• 德国WGK号: 3

产品相关信息

• 同位素纯度: 98 atom % 15N; 99 atom % 13C
• Mol. Weight: mol wt 77.99 by atom % calculation
• 线性分子式: H215N13CH213CO2H

详细说明

Sigma Aldrich - 489522

包装
500 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 - G615993

Labelled analogue of Glycine, a non-essential amino acid for human development. Glycine is an inhibitory neurotransmitter in spinal cord, allosteric regulator of NMDA receptors.

参考文献

• Scott, D. et al.: J. Neurosci., 21, 3063 (2001)
• Laube, B. et al.: Neuropharmacology, 47, 994 (2001)
• Papadakis, M. et al.: J. Biol. Chem., 279, 14703 (2001)
• Chen, P. et al.: Mol. Pharmacol., 67, 1470 (2001)
• Wolosker, H. et al.: Mol. Neurobiol., 36, 152