1-C-Methyl-1-O-Phosphono-α-D-Glucopyranose

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Properties Simple | Detailed

Formula C7H15O9P
IUPAC Name [(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyl-tetrahydropyran-2-yl] dihydrogen phosphate
Molecular Mass 274.162 g·mol−1
Heat of Formation -2039.2 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 280.71 Å 3
Surface Area 241.45 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
Synonyms
  • 1-deoxy-d-gluco-heptulose 2-phosphate
  • 1-deoxygluco-heptulose 2-phosphate
  • [(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-2-methyl-6-methylol-tetrahydropyran-2-yl] dihydrogen phosphate
  • [(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyl-2-tetrahydropyranyl] dihydrogen phosphate
  • [(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyl-oxan-2-yl] dihydrogen phosphate
  • [(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyl-tetrahydropyran-2-yl] dihydrogen phosphate
  • alpha-d-gluco-2-heptulopyranose, 1-deoxy-, 2-(dihydrogen phosphate)
  • h2p
  • heptulose 2-phosphate
  • heptulose-2-p
  • heptulose-2-phosphate
CAS Number(s)
  • 92642-58-5
InChIKey QZBAZODTRUGOQS-XUUWZHRGSA-N
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