(2R,3R,4R,5R,6R)-3-Acetamido-4-Hydroxy-6-(Hydroxymethyl)-5-(Sulfooxy)Tetrahydro-2H-Pyran-2-Yl [(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 C17H27N3O20P2S
IUPAC Name [(2r,3r,4r,5r,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-2-yl] [[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 687.417 g·mol−1
Heat of Formation -4208.0 ± 16.7 kJ·mol−1
Dipole Moment 7.63 ± 1.08 D
Volume 684.55 Å 3
Surface Area 483.75 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4r,5r,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxy-2-tetrahydropyranyl] [[(2r,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3r,4r,5r,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxy-oxan-2-yl] [[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3r,4r,5r,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-2-yl] [[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3r,4r,5r,6r)-3-acetamido-4-hydroxy-6-methylol-5-sulfoxy-tetrahydropyran-2-yl] [[(2r,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
  • udp-ga1nac-s
  • udp-n-acetyl-d-galactosamine 4-sulfate
  • udp-n-acetylgalactosamine 4-sulfate
  • uridine 5'-(trihydrogen diphosphate), p'-(2-(acetylamino)-2-deoxy-4-o-sulfo-alpha-d-galactopyranosyl) ester
  • uridine diphosphate-n-acetylgalactosamine 4-sulfate
CAS Number(s)
  • 3863-56-7
InChIKey ITVFJXYJMFKBES-ACMLXWNCSA-N
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