1,6-Di-O-Phosphono-Β-D-Glucopyranose

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Properties Simple | Detailed

Formula C6H14O12P2
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(phosphonooxymethyl)tetrahydropyran-2-yl] dihydrogen phosphate
Molecular Mass 340.116 g·mol−1
Heat of Formation -2850.8 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 325.4 Å 3
Surface Area 285.13 Å 2
HOMO Energy -10.17 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(phosphonooxymethyl)-2-tetrahydropyranyl] dihydrogen phosphate
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(phosphonooxymethyl)tetrahydropyran-2-yl] dihydrogen phosphate
  • g16
InChIKey RWHOZGRAXYWRNX-DVKNGEFBSA-N
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