2-O-[4-(~125~I)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 -922.6 ± 16.7 kJ·mol−1
Dipole Moment 0.95 ± 1.08 D
Volume 364.37 Å 3
Surface Area 320.26 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 2-ibg
  • 2-o-(4-iodobenzyl)glucose
CAS Number(s)
  • 108736-66-9
InChIKey KLIHZNHQGXMTIA-VRTWZNOMSA-N
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