(1S)-1,4-Anhydro-1-(2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl)-5-O-Phosphono-D-Ribitol

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Properties Simple | Detailed

Formula C9H13N2O9P
IUPAC Name [(2r,3s,4r,5s)-5-(2,4-dioxo-1h-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 324.181 g·mol−1
Heat of Formation -1902.0 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 322.86 Å 3
Surface Area 286.28 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-o-phosphono-d-ribitol
  • (1s)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-d-ribitol 5-(dihydrogen phosphate)
  • 2,4(1h,3h)-pyrimidinedione, 5-(5-o-phosphono-beta-d-ribofuranosyl)-
  • 5-(5-o-phosphono-beta-d-ribofuranosyl)pyrimidine-2,4(1h,3h)-dione
  • [(2r,3s,4r,5s)-5-(2,4-diketo-1h-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5s)-5-(2,4-dioxo-1h-pyrimidin-5-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5s)-5-(2,4-dioxo-1h-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5s)-5-(2,4-dioxo-1h-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • pseudouridylic acid
InChIKey MOBMOJGXNHLLIR-GBNDHIKLSA-N
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