(2R,3S,5R)-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-2-[(Methylperoxy)Methyl]Tetrahydro-3-Furanyl Acetate

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Properties Simple | Detailed

Formula C13H18N2O7++
IUPAC Name [(2r,3s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-(methylperoxymethyl)tetrahydrofuran-3-yl] acetate
Molecular Mass 314.291 g·mol−1
Heat of Formation -1018.5 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 351.51 Å 3
Surface Area 305.84 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-o-acetyl-2'-deoxy-5-methoxymethyluridine
  • [(2r,3s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-(methylperoxymethyl)oxolan-3-yl] ethanoate
  • [(2r,3s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-(methylperoxymethyl)tetrahydrofuran-3-yl] acetate
  • [(2r,3s,5r)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(methylperoxymethyl)oxolan-3-yl] acetate
  • acetic acid [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-(methylperoxymethyl)tetrahydrofuran-3-yl] ester
  • acetic acid [(2r,3s,5r)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-(methyldioxymethyl)-3-tetrahydrofuranyl] ester
  • mmacdurd
  • thymidine, alpha-methoxy-, 3'-acetate
CAS Number(s)
  • 113203-27-3
InChIKey GEPZYEHBJZJNEL-HBNTYKKESA-N
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