(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-4-Hydroxy-2-({[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Methyl)Tetrahydro-3-Furanyl (2S,3S,4R,5R,6S)-4,5-Diacetamido-3,6-Dihydroxytetrahydro-2H-Pyran-2-Carboxylate

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Properties Simple | Detailed

Formula C19H28N4O18P2
IUPAC Name [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] (2s,3s,4r,5r,6s)-4,5-diacetamido-3,6-dihydroxy-tetrahydropyran-2-carboxylate
Molecular Mass 662.389 g·mol−1
Heat of Formation -3847.2 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 674.59 Å 3
Surface Area 545.78 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r,6s)-4,5-diacetamido-3,6-dihydroxy-2-tetrahydropyrancarboxylic acid [(2r,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]-3-tetrahydrofuranyl] ester
  • (2s,3s,4r,5r,6s)-4,5-diacetamido-3,6-dihydroxy-tetrahydropyran-2-carboxylic acid [(2r,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] ester
  • [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]oxolan-3-yl] (2s,3s,4r,5r,6s)-4,5-diacetamido-3,6-dihydroxy-oxane-2-carboxylate
  • [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] (2s,3s,4r,5r,6s)-4,5-diacetamido-3,6-dihydroxy-tetrahydropyran-2-carboxylate
  • udp-ddgpu
  • udp-x
  • uridine 5'-diphospho-2,3-diacetamido-2,3-dideoxyglucopyranuronic acid
CAS Number(s)
  • 112529-16-5
InChIKey CFGWKIDRUJVXAG-PAOTWUOVSA-N
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