5'-O-[Hydroxy(2-Methyl-1H-Imidazol-1-Yl)Phosphoryl]Cytidine

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Properties Simple | Detailed

Formula C13H18N5O7P
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(2-methylimidazol-1-ium-2-ylium-1-yl)phosphinic acid
Molecular Mass 387.285 g·mol−1
Heat of Formation -1301.7 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 408.95 Å 3
Surface Area 342.16 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 2-meimpc
  • [(2r,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-(2-methyl-1-imidazolyl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
  • cytidine 5'-phospho-2-methylimidazolide
  • cytidine, 5'-(hydrogen(2-methyl-1h-imidazol-1-yl)phosphonate)
CAS Number(s)
  • 85179-51-7
InChIKey TUUHAMBRJSYHAH-HJQYOEGKSA-N
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