3-O-Phosphono-D-Glucitol

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Properties Simple | Detailed

Formula C6H15O9P
IUPAC Name [(1r,2r,3r)-1-[(1s)-1,2-dihydroxyethyl]-2,3,4-trihydroxy-butyl] dihydrogen phosphate
Molecular Mass 262.152 g·mol−1
Heat of Formation -2031.2 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 273.45 Å 3
Surface Area 245.45 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2r,3r)-1-[(1s)-1,2-dihydroxyethyl]-2,3,4-trihydroxy-butyl] dihydrogen phosphate
  • [(1r,2r,3r)-1-[(1s)-1,2-dihydroxyethyl]-2,3,4-trihydroxybutyl] dihydrogen phosphate
  • [(2s,3r,4r,5r)-1,2,4,5,6-pentahydroxyhexan-3-yl] dihydrogen phosphate
  • d-glucitol 3-(dihydrogen phosphate)
  • d-glucitol 3-phosphate
  • d-glucitol, 3-(dihydrogen phosphate)
  • d-sorbitol 3-phosphate
  • sorbitol 3-phosphate
  • sorbitol-3-phosphate
CAS Number(s)
  • 121955-14-4
InChIKey RSCVCIHYYQHRMQ-JGWLITMVSA-N
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