1-(2-Deoxy-α-D-Threo-Pentofuranosyl)-5-(Methoxymethyl)-2,4(1H,3H)-Pyrimidinedione

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Formula C11H16N2O6
IUPAC Name 1-[(2s,4r,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(methoxymethyl)pyrimidine-2,4-dione
Molecular Mass 272.255 g·mol−1
Heat of Formation -1039.9 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 305.88 Å 3
Surface Area 280.81 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2s,4r,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-(methoxymethyl)pyrimidine-2,4-dione
  • 1-[(2s,4r,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidine-2,4-dione
  • 1-[(2s,4r,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(methoxymethyl)pyrimidine-2,4-dione
  • 1-[(2s,4r,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-(methoxymethyl)pyrimidine-2,4-quinone
  • 5-methoxymethyl-1-(2'-deoxylyxofuranosyl)uracil
  • mmdlu
CAS Number(s)
  • 104639-39-6
InChIKey RSMISTTWWXJOOG-HLTSFMKQSA-N
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