5-Bromo-4-Chloro-1H-Indol-3-Yl α-D-Mannopyranoside

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Properties Simple | Detailed

Formula C14H15BrClNO6
IUPAC Name (2r,3s,4s,5s,6r)-2-(5-bromo-4-chloro-indol-1-ium-3-yl)oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 408.629 g·mol−1
Heat of Formation -946.7 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 381.96 Å 3
Surface Area 317.52 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5s,6r)-2-(5-bromo-4-chloro-1h-indol-3-yloxy)-tetrahydro-6-(hydroxymethyl)-2h-pyran-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-[(5-bromo-4-chloro-1h-indol-3-yl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-[(5-bromo-4-chloro-1h-indol-3-yl)oxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • (5-bromo-4-chloro-3-indolyl)-a-d-mannose
  • xmm
InChIKey OPIFSICVWOWJMJ-HAAGFXOZSA-N
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Elements C Cl H O N Br