6-O-Phosphono-β-D-Tagatofuranose

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Properties Simple | Detailed

Formula C6H13O9P
IUPAC Name [(2r,3r,4s,5r)-3,4,5-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 260.136 g·mol−1
Heat of Formation -1991.0 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 258.12 Å 3
Surface Area 242.75 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • 6-o-phosphono-beta-l-tagatofuranose
  • [(2r,3r,4s,5r)-3,4,5-trihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3r,4s,5r)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4s,5r)-3,4,5-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4s,5r)-3,4,5-trihydroxy-5-methylol-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
InChIKey BGWGXPAPYGQALX-DPYQTVNSSA-N
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