1,6-Di-O-Phosphono-α-D-Mannopyranose

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Properties Simple | Detailed

Formula C6H14O12P2
IUPAC Name [(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(phosphonooxymethyl)tetrahydropyran-2-yl] dihydrogen phosphate
Molecular Mass 340.116 g·mol−1
Heat of Formation -2859.8 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 318.35 Å 3
Surface Area 284.39 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(phosphonooxymethyl)-2-tetrahydropyranyl] dihydrogen phosphate
  • [(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
  • [(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(phosphonooxymethyl)tetrahydropyran-2-yl] dihydrogen phosphate
  • alpha-d-mannopyranose, 1,6-bis(dihydrogen phosphate)
  • man1,6bp
  • mannose-1,6-bisphosphate
CAS Number(s)
  • 19504-70-2
InChIKey RWHOZGRAXYWRNX-RWOPYEJCSA-N
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