[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methylamino-Tetrahydropyran-2-Yl] [[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C16H13N3O19P3
IUPAC Name [[(2r)-2-[(z)-c-formyl-n-(3-isocyanato-3-oxo-prop-1-ynyl)carbonimidoyl]oxy-3-oxo-propoxy]-oxido-phosphoryl] [[(2s)-1-(1-formyl-2-oxo-vinyloxy)-2-isocyano-3-oxo-propoxy]-oxido-phosphoryl] phosphate
Molecular Mass 644.204 g·mol−1
Heat of Formation -4401.5 ± 16.7 kJ·mol−1
Dipole Moment 10.12 ± 1.08 D
Volume 649.16 Å 3
Surface Area 469.52 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-methylamino-6-methylol-tetrahydropyran-2-yl] [[[(2r,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-2-tetrahydropyranyl] [[[(2r,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-oxan-2-yl] [[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl] [[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
  • udp-n-methyl-d-glucosamine phosphate
  • udp-n-methylglucosamine phosphate
  • udp-nmgp
  • uridine 5'-(trihydrogen diphosphate), mono(2-deoxy-2-(methylamino)-o-phosphono-alpha-d-glucopyranosyl) ester
CAS Number(s)
  • 84283-22-7
InChIKey OUWZLYJTYORJQX-SQIQDKGHSA-N
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