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

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Properties Simple | Detailed

Formula C9H14IN2O14P3++
IUPAC Name [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular Mass 594.038 g·mol−1
Heat of Formation -3366.7 ± 16.7 kJ·mol−1
Dipole Moment 6.69 ± 1.08 D
Volume 472.57 Å 3
Surface Area 365.84 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-5-iodouracil 5'-triphosphate
  • 5-iodo-2'-deoxyuridine triphosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-diketo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • diutp
CAS Number(s)
  • 3731-55-3
InChIKey ZWDWDTXYXXJLJB-RRKCRQDMSA-N
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