N2-甲酰基-L-精氨酸 | 93964-76-2

• 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
• 中文名称: N2-甲酰基-L-精氨酸
• 英文名称: N^α-formyl-L-arginine
• 英文别名: N^α-Formyl-L-arginin；N2-formyl-L-arginine；(2S)-5-(diaminomethylideneamino)-2-formamidopentanoic acid
• CAS: 93964-76-2
• 化学式: C₇H₁₄N₄O₃
• 分子量: 202.213
• InChiKey: MBDCBOQSTZRKJP-YFKPBYRVSA-N

物化性质

• 熔点：
  269-270 °C(Solv: methanol (67-56-1); ethanol (64-17-5)(1:1))
• 沸点：
  509.2±60.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  131
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  甲酸 、 L-精氨酸 以 水 为溶剂， 生成 N2-甲酰基-L-精氨酸
  参考文献：
  名称：

  Formyl-l-arginine monohydrate

  摘要：

  A new compound N-alpha-formyl-L-arginine (+)(H2N)(2)CNH(CH2)(3)CH(HN(HCO))COO- with zwitter-ionic structure has been found out in the system L-arginine + HCOOH + N2O. The title compound crystallizes in monoclinic system (space group P2(I)) as monohydrate. Crystal structure has been determined by single crystal X-ray diffraction method and FTIR ATR, FT Raman spectra are reported. Dehydration process has been studied. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2006.07.025

文献信息

• Micheel et al., Justus Liebigs Annalen der Chemie, 1952, vol. 575, p. 90,103
  作者：Micheel et al.

  DOI：——

  日期：——
• Formyl-l-arginine monohydrate
  作者：H.A. Karapetyan、M.Yu. Antipin、R.P. Sukiasyan、A.M. Petrosyan

  DOI：10.1016/j.molstruc.2006.07.025

  日期：2007.4

  A new compound N-alpha-formyl-L-arginine (+)(H2N)(2)CNH(CH2)(3)CH(HN(HCO))COO- with zwitter-ionic structure has been found out in the system L-arginine + HCOOH + N2O. The title compound crystallizes in monoclinic system (space group P2(I)) as monohydrate. Crystal structure has been determined by single crystal X-ray diffraction method and FTIR ATR, FT Raman spectra are reported. Dehydration process has been studied. (c) 2006 Elsevier B.V. All rights reserved.