(2S,3S,4R,5R,6R)-5-Acetamido-6-{[{[{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}-3,4-Dihydroxytetrahydro-2H-Pyran-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C17H25N3O18P2
IUPAC Name (2s,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 621.337 g·mol−1
Heat of Formation -3834.3 ± 16.7 kJ·mol−1
Dipole Moment 6.84 ± 1.08 D
Volume 615.05 Å 3
Surface Area 490.28 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -1.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-tetrahydropyran-2-carboxylic acid
  • udp-n-acetyl-2-amino-2-deoxy-d-glucuronate
  • udp-n-acetyl-d-glucosaminouronate
InChIKey DZOGQXKQLXAPND-HHKCBAECSA-N
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