1,5-Anhydro-6-O-Phosphono-D-Glucitol

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Properties Simple | Detailed

Formula C6H13O8P
IUPAC Name [(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydropyran-2-yl]methyl dihydrogen phosphate
Molecular Mass 244.136 g·mol−1
Heat of Formation -1807.6 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 241.46 Å 3
Surface Area 223.62 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 1,5-anhydroglucitol-6-phosphate
  • [(2r,3s,4r,5s)-3,4,5-trihydroxy-2-tetrahydropyranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydropyran-2-yl]methyl dihydrogen phosphate
  • d-glucitol, 1,5-anhydro-, 6-(dihydrogen phosphate)
CAS Number(s)
  • 17659-59-5
  • 21059-23-4
  • 46408-38-2
InChIKey KAJAXXUCVJFKFM-SLPGGIOYSA-N
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