(2S,4R)-4-hydroxy(2,5,5-2H3)pyrrolidine-2-carboxylic acid

• ChemBase编号: 170994
• 分子式: C5H9NO3
• 平均质量: 131.12986
• 单一同位素质量: 131.05824315
• SMILES: C1[C@@H](C[C@H](N1)C(=O)O)O
• Canonical SMILES: O[C@H]1CN[C@@H](C1)C(=O)O
• InChI: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
• InChIKey: PMMYEEVYMWASQN-DMTCNVIQSA-N

名称和登记号

名称

• IUPAC标准名: (2S,4R)-4-hydroxy(2,5,5-^2H₃)pyrrolidine-2-carboxylic acid
• IUPAC传统名: (2S,4R)-4-hydroxy(2,5,5-^2H₃)pyrrolidine-2-carboxylic acid
• 别名: (R)-4-Hydroxy-(S)-proline-d3; 4(R)-Hydroxy-2(S)-pyrrolidinecarboxylic Acid-d3; 4-trans-Hydroxy-L-proline-d3; L-Hypro-d3; NSC 46704-d3; trans-4-Hydroxy-L-proline-d3; trans-4-Hydroxy-L-proline-2,5,5-d3; (-)-4-Hydroxy-2-pyrrolidinecarboxylic Acid-d3; (2S,4R)-(-)-4-Hydroxyproline-d3

登记号

• PubChem SID: 164226904
• PubChem CID: 71749212

理论计算性质

• Acid pKa: 1.641382
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -3.7163465
• LogD (pH = 7.4): -3.7165344
• Log P: -3.7163188
• 摩尔折射率: 29.3822 cm^3
• 极化性: 11.9828205 Å^3
• 极化表面积: 69.56 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - H952378

A labelled trans-4-Hydroxy-L-proline. A natural constituent of animal structural proteins such as collagen and elastin. Several microorganisms producing proline trans-4- and cis-3-hydroxylase were discovered and these enzymes were applied to the industria

参考文献

• Langmaier, F. et al.: Int. J. Cosm. Sci., 24, 273 (2002)
• Lawrence, C., et al.: Biochem. J., 313, 185 (2002)
• Mori, H., et al.: J. Bacteriol.; 179, 5677 (2002)
• Clifton, I., et al.: Eur. J. Biochem., 268, 6625 (2002)