2'-Deoxy-5-Iodocytidine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C9H15IN3O13P3
IUPAC Name [[(2r,3s,5r)-5-(4-amino-5-iodo-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 593.053 g·mol−1
Heat of Formation -3125.3 ± 16.7 kJ·mol−1
Dipole Moment 6.85 ± 1.08 D
Volume 478.05 Å 3
Surface Area 406.33 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 5-iodocytosine deoxyribonucleoside triphosphate
  • [(2r,3s,5r)-5-(4-amino-5-iodo-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-iodo-2-oxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-iodo-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-iodo-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-iodo-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • cytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-iodo-
CAS Number(s)
  • 31747-59-8
InChIKey OOMLBPVHGFQCCL-RRKCRQDMSA-N
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