[17O2]-D-alanine

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [17O2]-D-alanine
• 英文别名: (2R)-2-aminopropan(17O2)oic acid
• 化学式: C₃H₇NO₂
• 分子量: 91.0953
• InChiKey: QNAYBMKLOCPYGJ-KKLVFWCDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  D-丙氨酸 在 盐酸 、 氧-17原子 作用下， 生成 [17O2]-D-alanine
  参考文献：
  名称：

  Two-Dimensional ¹⁷O Multiple Quantum Magic-Angle Spinning NMR of Organic Solids

  摘要：

  We report two-dimensional (2D) O-17 multiple-quantum magic-angle spinning (MQMAS) NMR spectra for four O-17-labeled organic compounds: [O-17(2)]-D-alanine (1), potassium hydrogen [O-17(4)]dibenzoate (2), [O-17(4)]D,L-glutamic acid.HCl (3) and [2,4-O-17(2)]uracil (4). The high spectral resolution observed in-the 2D O-17 MQMAS NMR spectra allows extraction of precise O-17 NMR parameters for all crystallographically distinct oxygen sites. We demonstrate that rotor synchronization is important in obtaining high-quality O-17 MQMAS spectra for organic compounds. Several issues related to the potential of O-17 MQMAS NMR for large biomolecular, systems are also discussed.

  DOI：

  10.1021/ja0102181

文献信息

• Two-Dimensional ¹⁷O Multiple Quantum Magic-Angle Spinning NMR of Organic Solids
  作者：Gang Wu、Shuan Dong

  DOI：10.1021/ja0102181

  日期：2001.9.1

  We report two-dimensional (2D) O-17 multiple-quantum magic-angle spinning (MQMAS) NMR spectra for four O-17-labeled organic compounds: [O-17(2)]-D-alanine (1), potassium hydrogen [O-17(4)]dibenzoate (2), [O-17(4)]D,L-glutamic acid.HCl (3) and [2,4-O-17(2)]uracil (4). The high spectral resolution observed in-the 2D O-17 MQMAS NMR spectra allows extraction of precise O-17 NMR parameters for all crystallographically distinct oxygen sites. We demonstrate that rotor synchronization is important in obtaining high-quality O-17 MQMAS spectra for organic compounds. Several issues related to the potential of O-17 MQMAS NMR for large biomolecular, systems are also discussed.