Indican

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Formula C14H17NO6
IUPAC Name (2r,3s,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 -867.4 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 333.02 Å 3
Surface Area 296.91 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-(1h-indol-3-yloxy)-6-methylol-tetrahydropyran-3,4,5-triol
  • indican glucoside
  • indican, plant
  • smp2_000304
CAS Number(s)
  • 1328-73-0
  • 487-60-5
InChIKey XVARCVCWNFACQC-RKQHYHRCSA-N
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