(1S)-1,5-Anhydro-1-(Phosphonomethyl)-D-Glucitol

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Properties Simple | Detailed

Formula C7H15O8P
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]methylphosphonic acid
Molecular Mass 258.163 g·mol−1
Heat of Formation -1771.8 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 271.77 Å 3
Surface Area 240.95 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 0.47 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]methylphosphonic acid
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylphosphonic acid
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]methylphosphonic acid
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]methylphosphonic acid
  • glucopyranosyl-1-methyl-phosphonic acid
  • gpm
InChIKey XRMRHVWWWWFMKR-OVHBTUCOSA-N
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