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

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Formula C12H17N2O11P
IUPAC Name ethyl 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2,6-dioxo-pyrimidine-4-carboxylate
Molecular Mass 396.244 g·mol−1
Heat of Formation -2240.3 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 404.63 Å 3
Surface Area 344.37 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-tetrahydrofuranyl]-2,6-dioxo-4-pyrimidinecarboxylic acid ethyl ester
  • 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2,6-diketo-pyrimidine-4-carboxylic acid ethyl ester
  • ethyl 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,6-dioxo-pyrimidine-4-carboxylate
  • ethyl 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2,6-dioxo-pyrimidine-4-carboxylate
InChIKey DZWXMWNQARNSMH-PEBGCTIMSA-N
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