2-Oxo-4-(Trifluoromethyl)-2H-Chromen-7-Yl β-D-Galactopyranoside

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Properties Simple | Detailed

Formula C16H16F3O8+
IUPAC Name 4-(trifluoromethyl)-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
Molecular Mass 393.289 g·mol−1
Heat of Formation -1868.1 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 397.15 Å 3
Surface Area 343.42 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(trifluoromethyl)-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one
  • 4-(trifluoromethyl)-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
  • 4-(trifluoromethyl)-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
  • 4-(trifluoromethyl)-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin
  • 4-(trifluoromethyl)-7-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone
  • 4-trifluoromethylumbelliferyl beta-d-galactopyranoside
InChIKey WXZJYRMHQCZVKG-BGNCJLHMSA-N
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