5'-O-{Hydroxy[(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)Oxy]Phosphoryl}Cytidine

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Formula C9H13N3O17P4
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl] hydrogen phosphate
Molecular Mass 559.104 g·mol−1
Heat of Formation -3084.5 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 495.98 Å 3
Surface Area 361.84 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -2.10 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl] hydrogen phosphate
  • cytidine 5'-(pentahydrogen tetraphosphate)
  • cytidine 5'-tetraphosphate
CAS Number(s)
  • 10592-99-1
  • 87980-19-6
InChIKey ZBQGNTDXMLQDQJ-XVFCMESISA-N
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