6-(Methoxycarbonyl)Uridine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C11H15N2O11P
IUPAC Name methyl 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2,6-dioxo-5h-pyrimidin-3-ium-5-ide-4-carboxylate
Molecular Mass 382.217 g·mol−1
Heat of Formation -2200.1 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 383.34 Å 3
Surface Area 329.56 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-tetrahydrofuranyl]-2,6-dioxo-4-pyrimidinecarboxylic acid methyl ester
  • 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2,6-diketo-pyrimidine-4-carboxylic acid methyl ester
  • methyl 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,6-dioxo-pyrimidine-4-carboxylate
  • methyl 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2,6-dioxo-pyrimidine-4-carboxylate
InChIKey VOHILSGGFMXAFJ-ZOQUXTDFSA-N
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