(2S)-3-hydroxy-2-(methylamino)propanoic acid

• ChemBase编号: 154619
• 分子式: C4H9NO3
• 平均质量: 119.11916
• 单一同位素质量: 119.05824315
• SMILES: CN[C@@H](CO)C(=O)O
• Canonical SMILES: CN[C@H](C(=O)O)CO
• InChI: InChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m0/s1
• InChIKey: PSFABYLDRXJYID-VKHMYHEASA-N

名称和登记号

名称

• IUPAC标准名: (2S)-3-hydroxy-2-(methylamino)propanoic acid
• IUPAC传统名: (2S)-3-hydroxy-2-(methylamino)propanoic acid
• 别名: (S)-3-Hydroxy-2-(methylamino)propionic acid; N-Me-Ser-OH; N-Methyl-L-serine

登记号

• CAS号: 2480-26-4
• MDL号: MFCD00037756
• Beilstein号: 2498641
• PubChem SID: 162248757
• PubChem CID: 7009640

理论计算性质

• Acid pKa: 1.7578363
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -3.6643322
• LogD (pH = 7.4): -3.6657603
• Log P: -3.6643286
• 摩尔折射率: 26.8156 cm^3
• 极化性: 10.868561 Å^3
• 极化表面积: 69.56 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

• 比旋光度: [α]/D +9.5±1.0°, c = 1 in 1 M HCl

安全信息

• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H319
• GHS警示性声明: P305 + P351 + P338

产品相关信息

• 纯度: ≥98% (TLC)
• 主要成分: carbon, 39.5-41.1%; nitrogen, 11.5-12.0%
• Empirical Formula (Hill Notation): C4H9NO3

详细说明

Sigma Aldrich - 73156

Biochem/physiol Actions
N-Methyl-L-serine has been found to stimulate production of high molecular mass hyaluronan in human fibroblasts. This effect was specific to methylated L-serine and not observed with other methylated amino acids. 1