Overview NMR-Data [1] for Arginine:

arginin Atom Atomtyp Chemical Shift [ppm]1 Random Coil
chem. shift 3
Random Coil
chem. shift4
average standard deviation entries2
H H 8.24 0.627 40130  8.23  8.20
H 4.293 0.476 31190  4.34  4.65
Hβ2 H 1.789 0.323 28470  1.86  1.81
Hβ3 H 1.756 0.336 26878  1.76  1.81
Hγ2 H 1.558 0.287 25624  1.63  1.67
Hγ3 H 1.537 0.302 23633  1.63  1.67
Hδ2 H 3.106 0.274 25181  3.20  3.21
Hδ3 H 3.089 0.295 22830  3.20  3.21
H 7.469 3.158 8731  8.07  8.07
Hη11 H 6.915 0.56 821
Hη12 H 6.846 0.500 625
Hη21 H 6.801 0.676 701
Hη22 H 6.877 2.300 579
C C 176.39 3.391 24360  176.3  174.5
C 56.77 2.442 34263  56.0  54.0
C 30.72 2.161 32008  30.9  30.2
C 27.23 1.678 20933  27.1  26.8
C 43.169 1.54 21197  43.3  43.4
C 160.246 6.468 566  159.5  159.6
N N 120.758 4.197 36557  120.5  121.3
N 90.604 13.498 5550
Nη1 N 79.911 13.90 214
Nη2 N 79.555 15.263 188
proportion of proteines  pK2 COOH pK1COOH isoelectrical point pK1NH2 pK2NH2
 4.7%  –  2.81  11.76  9.09  13.2
CAS- number  molar mass formula density melting point solubility
  • 74-79-3 (L– Arginine)
  • 1119-34-2 (L-Arginine ·Hydrochlorid)
  • 332360-01-7 (DL-Arginine ·Hydrochlorid·Hydrat)
  • 157-06-2 (D– Arginine)
  • 174,20 g·mol−1 (Arginin)
  • 210,66 g·mol−1 (Arginine ·Hydrochlorid)
  • 228,68 g·mol1  (Arginine ·Hydrochlorid ·Hydrat)
  • C6H14N4O2 (Arginine)
  • C6H14N4O2·HCl (Arginine ·Hydrochlorid)
  • C6H14N4O2·HCl·H2O (Arginine ·Hydrochlorid ·Hydrat)
 0,7 g·cm−3  238 °C  good in water (150 g·l−1 for 20 °C)

1 Depending on the type of atom it was 1H, 13C or 15N chemical shift. 1H und 13C relative to TMS and 15N relative to liquid ammonia

2 Number of individual chemical shift data for averaging according to [2]

3 with Alanine as neighborhood in the hexapeptide Gly-Gly-X-Ala-Gly-Gly [3]

4 with Proline as neighborhood in the hexapeptide Gly-Gly-X-Pro-Gly-Gly [3]

sources:

[1] “BioMagResBank”, Eldon L. Ulrich; Hideo Akutsu; Jurgen F. Doreleijers; Yoko Harano; Yannis E. Ioannidis; Jundong Lin; Miron Livny; Steve Mading; Dimitri Maziuk; Zachary Miller; Eiichi Nakatani; Christopher F. Schulte; David E. Tolmie; R. Kent Wenger; Hongyang Yao; John L. Markley; Nucleic Acids Research 36, D402-D408 (2008) doi: 10.1093/nar/gkm957

[2] http://www.bmrb.wisc.edu/ last visit march 2017

[3] David S. Wishart, Colin G. Bigam, Arne Holm, Robert S. Hodges, Brian D. Sykes; Journal of Biomolecular NMR
January 1995, Volume 5, Issue 1, pp 67-81 doi:10.1007/BF00227471

[4] Wikipedia http://de.wikipedia.org/wiki/Aminos%C3%A4uren (last visit january 2014)

[5] Wikipedia hhttp://de.wikipedia.org/wiki/Arginin (last visit january 2014)

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