[(2S,3S,4R,5S,6R)-5-Acetamido-3,4,6-Trihydroxytetrahydro-2H-Pyran-2-Yl]Carbonyl [(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C17H25N3O18P2
IUPAC Name [[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] (2s,3s,4r,5s,6r)-5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-carboxylate
Molecular Mass 621.337 g·mol−1
Heat of Formation -3826.5 ± 16.7 kJ·mol−1
Dipole Moment 10.46 ± 1.08 D
Volume 634.19 Å 3
Surface Area 440.99 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -1.80 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5s,6r)-5-acetamido-3,4,6-trihydroxy-2-tetrahydropyrancarboxylic acid [[[(2r,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] ester
  • (2s,3s,4r,5s,6r)-5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-carboxylic acid [[[(2r,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] ester
  • [[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] (2s,3s,4r,5s,6r)-5-acetamido-3,4,6-trihydroxy-oxane-2-carboxylate
  • [[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] (2s,3s,4r,5s,6r)-5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-carboxylate
  • beta-d-mannopyranuronic acid, 2-(acetylamino)-2-deoxy-, 1-5'-ester with uridine 5'-(trihydrogen diphosphate)
  • udp-n-acetylmannosaminuronic acid
  • uridine diphosphate n-acetyl-d-mannosaminuronic acid
CAS Number(s)
  • 25174-34-9
InChIKey PPKWAUXLIQKSTC-FPEQOPDTSA-N
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