2'-Deoxy-5-(3,6-Dioxo-1,4-Cyclohexadien-1-Yl)Uridine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C15H15N2O10P++
IUPAC Name [(2r,3s,5r)-5-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 414.261 g·mol−1
Heat of Formation -1853.1 ± 16.7 kJ·mol−1
Dipole Moment 6.83 ± 1.08 D
Volume 415.08 Å 3
Surface Area 330.01 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-uridylic acid, 2'-deoxy-5-(3,6-dioxo-1,4-cyclohexadien-1-yl)-
  • 5-(4-benzoquinonyl)-2'-deoxyuridine 5'-phosphate
  • 5-bqdp
  • [(2r,3s,5r)-5-[5-(3,6-diketo-1-cyclohexa-1,4-dienyl)-2,4-diketo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[5-(3,6-dioxo-1-cyclohexa-1,4-dienyl)-2,4-dioxo-1-pyrimidinyl]-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[5-(3,6-dioxo-1-cyclohexa-1,4-dienyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[5-(3,6-dioxo-1-cyclohexa-1,4-dienyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[5-(3,6-dioxo-1-cyclohexa-1,4-dienyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 87414-22-0
InChIKey DNVOIKAHGQQSAD-YNEHKIRRSA-N
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