N-Hydroxycytidine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C9H14N3O9P++
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 339.196 g·mol−1
Heat of Formation -1690.9 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 336.42 Å 3
Surface Area 298.27 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-keto-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxo-1-pyrimidinyl]-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxo-pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • cytidine, n-hydroxy-, 5'-(dihydrogenphosphate)
  • n(sup 4)-hydroxycytidine monophosphate
CAS Number(s)
  • 4988-54-9
InChIKey DYOUVDKCXLKHKY-XVFCMESISA-N
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