2-(Hydroxymethyl)Phenyl 6-O-Phosphono-β-D-Glucopyranoside

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Formula C13H19O10P
IUPAC Name [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]tetrahydropyran-2-yl]methyl dihydrogen phosphate
Molecular Mass 366.258 g·mol−1
Heat of Formation -2055.7 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 384.03 Å 3
Surface Area 319.17 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-methylolphenoxy)tetrahydropyran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]-2-tetrahydropyranyl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]tetrahydropyran-2-yl]methyl dihydrogen phosphate
  • salicin 6-phosphate
  • salicin-6p
InChIKey FSJKOMDYZYBBLV-UJPOAAIJSA-N
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