1-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-5-(Hydroxymethyl)-2,4(1H,3H)-Pyrimidinedione

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Formula C10H14N2O6++
IUPAC Name 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione
Molecular Mass 258.228 g·mol−1
Heat of Formation -1072.6 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 283.46 Å 3
Surface Area 258.44 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-(hydroxymethyl)pyrimidine-2,4-dione
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione
  • 1-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methylol-pyrimidine-2,4-quinone
InChIKey IPAVKOYJGUMINP-RNJXMRFFSA-N
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