1-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-5-Iodo-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C9H11IN2O5
IUPAC Name 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidin-1-ium-5-ide-2,4-dione
Molecular Mass 354.099 g·mol−1
Heat of Formation -790.1 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 287.54 Å 3
Surface Area 259.74 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1h-pyrimidine-2,4-dione
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-iodopyrimidine-2,4-dione
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-pyrimidine-2,4-dione
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidine-2,4-dione
  • 1-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-iodo-pyrimidine-2,4-quinone
CAS Number(s)
  • 60110-67-0
InChIKey XQFRJNBWHJMXHO-XVMARJQXSA-N
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