4-Chlorophenyl β-D-Galactopyranoside

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Properties Simple | Detailed

Formula C12H15ClO6
IUPAC Name (2s,3r,4s,5r,6r)-2-(4-chlorophenoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 290.697 g·mol−1
Heat of Formation -1020.2 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 317.15 Å 3
Surface Area 277.89 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5r,6r)-2-(4-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5r,6r)-2-(4-chlorophenoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5r,6r)-2-(4-chlorophenoxy)-6-methylol-tetrahydropyran-3,4,5-triol
  • 4-chlorophenyl-beta-d-galactopyranoside
  • beta-d-galactopyranoside, 4-chlorophenyl
  • p-chlorophenyl-beta-d-galactopyranoside
CAS Number(s)
  • 3018-53-9
InChIKey VTNZLQTUEWINQW-YBXAARCKSA-N
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Elements H C O Cl