2'-Deoxy-5-(Hydroperoxymethyl)Uridine

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Properties Simple | Detailed

Formula C10H14N2O7++
IUPAC Name 5-(hydroperoxymethyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 274.227 g·mol−1
Heat of Formation -993.6 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 291.83 Å 3
Surface Area 256.46 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(hydroperoxymethyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 5-(hydroperoxymethyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
  • 5-(hydroperoxymethyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 5-(hydroperoxymethyl)-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • 5-hydroperoxymethyl-2'-deoxyuridine
  • alpha-hydroperoxythymidine
  • thymidine, alpha-hydroperoxy-
CAS Number(s)
  • 38716-10-8
InChIKey STXZSCOOCRDNCN-XLPZGREQSA-N
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