5-Methyl-1-(β-D-Psicofuranosyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H16N2O7
IUPAC Name 1-[(2r,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 288.254 g·mol−1
Heat of Formation -1256.4 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 313.21 Å 3
Surface Area 263.96 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(beta-d-psicofuranosyl)thymine
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • 1-psicofuranosylthymine
CAS Number(s)
  • 151327-23-0
InChIKey DKRNELNEZOKLGD-KCGFPETGSA-N
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