N-Ribosylhistidine

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Properties Simple | Detailed

Formula C11H17N3O6
IUPAC Name (2s)-2-amino-3-[3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4h-imidazol-3-ium-4-ylium-5-yl]propanoic acid
Molecular Mass 287.269 g·mol−1
Heat of Formation -988.5 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 324.31 Å 3
Surface Area 279.61 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 3.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4-imidazolyl]propanoic acid
  • (2s)-2-amino-3-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanoic acid
  • (2s)-2-amino-3-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazol-4-yl]propanoic acid
  • (2s)-2-amino-3-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]imidazol-4-yl]propionic acid
  • his-r
  • n(tau)-ribosylhistidine
CAS Number(s)
  • 98379-91-0
InChIKey TTYCFBAOLXCFAB-VAPHQMJDSA-N
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