4-Amino-1-(5-{[3-(1H-Benzimidazol-2-Yl)Propanoyl]Amino}-5-Deoxy-α-L-Lyxofuranosyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C19H23N6O5
IUPAC Name n-[[(2s,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-3-(1h-benzimidazol-3-ium-7a-id-2-yl)propanamide
Molecular Mass 415.423 g·mol−1
Heat of Formation -623.2 ± 16.7 kJ·mol−1
Dipole Moment 9.09 ± 1.08 D
Volume 460.82 Å 3
Surface Area 418.23 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • n-[[(2s,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-3-(1h-benzimidazol-2-yl)propionamide
  • n-[[(2s,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl]-3-(1h-benzimidazol-2-yl)propanamide
  • n-[[(2s,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-3-(1h-benzimidazol-2-yl)propanamide
  • n-[[(2s,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-3-(1h-benzimidazol-2-yl)propanamide
InChIKey IHRYIMVLMZNCKA-FCRVUTKVSA-N
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