2'-Deoxy-N-Hydroxycytidine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C9H16N3O14P3
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-[4-(hydroxyamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
Molecular Mass 483.156 g·mol−1
Heat of Formation -3290.6 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 447.76 Å 3
Surface Area 347.6 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.83 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-3-hydroxy-5-[4-(hydroxyamino)-2-keto-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-[4-(hydroxyamino)-2-oxo-1-pyrimidinyl]-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-[4-(hydroxyamino)-2-oxo-pyrimidin-1-yl]oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-[4-(hydroxyamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • n(4)-hydroxydeoxycytidine triphosphate
  • uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-, 4-oxime
CAS Number(s)
  • 78232-33-4
InChIKey ZSOBZPYLVPKPTR-SHYZEUOFSA-N
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