Indoxyl-ß-D-Galactopyranoside

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Properties Simple | Detailed

Formula C14H17NO6
IUPAC Name (2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-indol-1-ium-3-yloxy-tetrahydropyran-3,4,5-triol
Molecular Mass 295.288 g·mol−1
Heat of Formation -879.6 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 332.11 Å 3
Surface Area 295.07 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxane-3,4,5-triol
  • (2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5r,6r)-2-(1h-indol-3-yloxy)-6-methylol-tetrahydropyran-3,4,5-triol
CAS Number(s)
  • 126787-65-3
InChIKey XVARCVCWNFACQC-MBJXGIAVSA-N
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