[(2R,3S,4R)-2-[[(2R,3S,4R,5R)-5-(3-Carbamoylpyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy]-3,4-Dihydroxy-5-Oxo-Pentyl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C16H26N2O15P2
IUPAC Name [(2r,3s,4r)-2-[(2r,3r)-2-[(3-carbamoyl-4h-pyridin-4-id-1-yl)methoxy]-3-hydroxy-4-oxo-butoxy]-3,4-dihydroxy-5-oxo-pentyl] phosphono hydrogen phosphate
Molecular Mass 548.330 g·mol−1
Heat of Formation -2998.7 ± 16.7 kJ·mol−1
Dipole Moment 1.98 ± 1.08 D
Volume 567.21 Å 3
Surface Area 470.73 Å 2
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r)-2-[[(2r,3s,4r,5r)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]-3,4-dihydroxy-5-oxo-pentyl] phosphono hydrogen phosphate
  • [(2r,3s,4r)-2-[[(2r,3s,4r,5r)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy]-3,4-dihydroxy-5-oxopentyl] phosphono hydrogen phosphate
  • [(2r,3s,4r)-2-[[(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-3,4-dihydroxy-5-keto-pentyl] phosphono hydrogen phosphate
  • [(2r,3s,4r)-2-[[(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxy-5-oxopentyl] phosphono hydrogen phosphate
InChIKey ZDQYPUCTIGVEJZ-HQKBCVNISA-O
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