6-Oxo-5,6-Dihydrouridine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C9H13N2O10P
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2,4,6-trioxohexahydropyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 340.181 g·mol−1
Heat of Formation -2106.4 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 329.37 Å 3
Surface Area 290.34 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5'-phospho-beta-d-ribofuranosyl)barbituric acid
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2,4,6-triketohexahydropyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2,4,6-trioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2,4,6-trioxo-1-hexahydropyrimidinyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2,4,6-trioxohexahydropyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • bmq
InChIKey AODYJUNLDJOADV-YXZULKJRSA-N
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