N-Acetyl-1-[(2R,3S,5R)-5-Hydroxy-2-Pentyltetrahydro-3-Furanyl]-L-Histidine

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Properties Simple | Detailed

Formula C17H27N3O5
IUPAC Name (2s)-2-acetamido-3-[3-[(2r,3s,5r)-5-hydroxy-2-pentyl-tetrahydrofuran-3-yl]-4h-imidazol-3-ium-4-ylium-5-yl]propanoic acid
Molecular Mass 353.413 g·mol−1
Heat of Formation -972.8 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 447.53 Å 3
Surface Area 365.91 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 3.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-acetamido-3-[1-[(2r,3s,5r)-2-amyl-5-hydroxy-tetrahydrofuran-3-yl]imidazol-4-yl]propionic acid
  • (2s)-2-acetamido-3-[1-[(2r,3s,5r)-5-hydroxy-2-pentyl-3-tetrahydrofuranyl]-4-imidazolyl]propanoic acid
  • (2s)-2-acetamido-3-[1-[(2r,3s,5r)-5-hydroxy-2-pentyl-oxolan-3-yl]imidazol-4-yl]propanoic acid
  • (2s)-2-acetamido-3-[1-[(2r,3s,5r)-5-hydroxy-2-pentyl-tetrahydrofuran-3-yl]imidazol-4-yl]propanoic acid
  • (2s)-2-acetamido-3-[1-[(2r,3s,5r)-5-hydroxy-2-pentyloxolan-3-yl]imidazol-4-yl]propanoic acid
  • hrb
InChIKey INPAKWNFLOQYEI-CAOSSQGBSA-N
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