2,5-Anhydro-6-O-Phosphono-D-Glucitol

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Properties Simple | Detailed

Formula C6H13O8P
IUPAC Name [(2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 244.136 g·mol−1
Heat of Formation -1795.3 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 251.28 Å 3
Surface Area 233.85 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5s)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
InChIKey XYTKBMAMGDBXPU-SLPGGIOYSA-N
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