5'-O-[{[{2-[Formyl(Hydroxy)Amino]Ethoxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Cytidine

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Properties Simple | Detailed

Formula C12H20N4O13P2
IUPAC Name [[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 2-[formyl(hydroxy)amino]ethyl hydrogen phosphate
Molecular Mass 490.254 g·mol−1
Heat of Formation -2687.9 ± 16.7 kJ·mol−1
Dipole Moment 10.10 ± 1.08 D
Volume 489.05 Å 3
Surface Area 382.13 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.42 ± 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 [2-(formyl-hydroxy-amino)ethoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [2-(formyl-hydroxyamino)ethoxy-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[2-(hydroxy-methanoyl-amino)ethoxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [2-(formyl-hydroxy-amino)ethoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [2-(formyl-hydroxyamino)ethoxy-hydroxyphosphoryl] hydrogen phosphate
  • fosfocytocin
CAS Number(s)
  • 126986-25-2
InChIKey BWGMNVJUNKPELE-QCNRFFRDSA-N
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