2,5-Anhydro-1-Deoxy-1-Phosphono-D-Glucitol

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Properties Simple | Detailed

Formula C6H13O7P
IUPAC Name [(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methylphosphonic acid
Molecular Mass 228.137 g·mol−1
Heat of Formation -1579.4 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 239.29 Å 3
Surface Area 217.53 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]methylphosphonic acid
  • [(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methylphosphonic acid
  • [(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methylphosphonic acid
  • [(2r,3s,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]methylphosphonic acid
InChIKey DFYLWBCXEJFDNK-JGWLITMVSA-N
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