2-[(2S)-2-aminopropanamido]acetic acid

• ChemBase编号: 102135
• 分子式: C5H10N2O3
• 平均质量: 146.1445
• 单一同位素质量: 146.06914219
• SMILES: C[C@H](N)C(=O)NCC(=O)O
• Canonical SMILES: C[C@@H](C(=O)NCC(=O)O)N
• InChI: InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)/t3-/m0/s1
• InChIKey: CXISPYVYMQWFLE-VKHMYHEASA-N

名称和登记号

名称

• IUPAC标准名: 2-[(2S)-2-aminopropanamido]acetic acid
• IUPAC传统名: [(2S)-2-aminopropanamido]acetic acid
• 别名: L-Alanyl-glycine; Ala-Gly; Ala-Gly; H-Ala-Gly-OH; L-ALANYLGLYCINE

登记号

• CAS号: 687-69-4
• EC号: 211-699-9
• MDL号: MFCD00065107
• Beilstein号: 1723438
• PubChem SID: 24890462; 162088127; 24845839
• PubChem CID: 6998029

理论计算性质

• Acid pKa: 3.6593788
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -3.9507923
• LogD (pH = 7.4): -3.9851785
• Log P: -3.9484138
• 摩尔折射率: 33.3008 cm^3
• 极化性: 13.317601 Å^3
• 极化表面积: 92.42 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 249-255 °C (dec.)
• 比旋光度: [α]20/D +51±1°, c = 2% in H2O

安全信息

• 保存条件: 0°C
• 德国WGK号: 3
• 保存温度: -20°C

产品相关信息

• 纯度: ≥99%; ≥99.0% (T)
• 级别: puriss.
• 线性分子式: CH3CH(NH2)CONHCH2COOH

详细说明

MP Biomedicals - 02100311

Crystalline
Purity: 99+%

Sigma Aldrich - A0878

Biochem/physiol Actions
L-alanylglycine is a simple nutritional dipeptide also used for physical chemistry studies such as hydrogen bonding and heavy metal complexation.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. A0878.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.