1-[(2S,4R,5R)-4-(Hydroxymethyl)-5-Iodotetrahydro-2-Furanyl]-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Formula C10H13IN2O4++
IUPAC Name 1-[(2s,4r,5r)-4-(hydroxymethyl)-5-iodo-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 352.126 g·mol−1
Heat of Formation -649.6 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 298.23 Å 3
Surface Area 264.53 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2s,4r,5r)-4-(hydroxymethyl)-5-iodo-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2s,4r,5r)-4-(hydroxymethyl)-5-iodo-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2s,4r,5r)-4-(hydroxymethyl)-5-iodo-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2s,4r,5r)-5-iodo-4-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • 3'-deoxy-3'-iodothymidine
  • thymidine, 3'-deoxy-3'-iodo-
CAS Number(s)
  • 14260-82-3
InChIKey HVIROXRSEGERTP-CSMHCCOUSA-N
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