1-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinecarboxylic Acid

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Properties Simple | Detailed

Formula C10H12N2O7
IUPAC Name 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidine-5-carboxylic acid
Molecular Mass 272.211 g·mol−1
Heat of Formation -1239.1 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 285.4 Å 3
Surface Area 258.52 Å 2
HOMO Energy -10.17 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2,4-dioxo-5-pyrimidinecarboxylic acid
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-pyrimidine-5-carboxylic acid
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidine-5-carboxylic acid
  • 1-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-2,4-diketo-pyrimidine-5-carboxylic acid
  • 2'-deoxy-5-carboxyuridine
  • 5-carboxy-2'-deoxyuridine
  • 5-pyrimidinecarboxylic acid, 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-1,2,3,4-tetrahydro-2,4-dioxo-
CAS Number(s)
  • 14599-46-3
InChIKey GAGYTXTVUMXAOC-XVMARJQXSA-N
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