5'-Deoxy-5'-[(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)Amino]-5-Iodouridine

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Properties Simple | Detailed

Formula C9H15IN3O14P3++
IUPAC Name n-[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl]methyl]-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphonamidic acid
Molecular Mass 609.053 g·mol−1
Heat of Formation -3326.2 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 487.44 Å 3
Surface Area 373.69 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • 2',5'-dideoxy-5'-((hydroxy((hydroxy(phosphonooxy) phosphinyl)oxy)phosphinyl)amino)-5-iodouridine
  • 5-iodo-5'-amino-2',5'-dideoxyuridine 5'-n'-triphosphate
  • n-[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-iodo-2,4-diketo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphonamidic acid
  • n-[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-iodo-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl]-(hydroxy-phosphonooxyphosphoryl)oxyphosphonamidic acid
  • n-[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl]-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphonamidic acid
  • n-[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphonamidic acid
  • n-[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-(hydroxy-phosphonooxyphosphoryl)oxyphosphonamidic acid
CAS Number(s)
  • 60658-58-4
InChIKey SVDLUYMZCXGYFB-UAKXSSHOSA-N
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