Ropidoxuridine

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Formula C9H11IN2O4
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidin-3-ium-2-one
Molecular Mass 338.099 g·mol−1
Heat of Formation -520.6 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 275.48 Å 3
Surface Area 244.43 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-iodo-2-pyrimidinone
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-pyrimidin-2-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidin-2-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-iodo-pyrimidin-2-one
InChIKey XIJXHOVKJAXCGJ-XLPZGREQSA-N
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