2-O-(4-Iodobenzyl)-D-Glucose

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Properties Simple | Detailed

Formula C13H17IO6
IUPAC Name (2r,3s,4r,5r)-3,4,5,6-tetrahydroxy-2-[(4-iodophenyl)methoxy]hexanal
Molecular Mass 396.175 g·mol−1
Heat of Formation -918.5 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 364.47 Å 3
Surface Area 324.65 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r)-3,4,5,6-tetrahydroxy-2-(4-iodobenzyl)oxy-hexanal
  • (2r,3s,4r,5r)-3,4,5,6-tetrahydroxy-2-[(4-iodophenyl)methoxy]hexanal
InChIKey KLIHZNHQGXMTIA-YVECIDJPSA-N
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