1-O-[(2R)-2-(1H-Indol-3-Yl)Propanoyl]-D-Arabinitol

Molecule SVG Image

Properties Simple | Detailed

Formula C16H21NO6
IUPAC Name [(2r,3r,4r)-2,3,4,5-tetrahydroxypentyl] (2r)-2-indol-1-ium-3-ylpropanoate
Molecular Mass 323.341 g·mol−1
Heat of Formation -1022.1 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 384.33 Å 3
Surface Area 325.29 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(1h-indol-3-yl)propanoic acid [(2r,3r,4r)-2,3,4,5-tetrahydroxypentyl] ester
  • (2r)-2-(1h-indol-3-yl)propionic acid [(2r,3r,4r)-2,3,4,5-tetrahydroxypentyl] ester
  • (2r,3r,4r)-2,3,4,5-tetrahydroxypentyl (2r)-2-(1h-indol-3-yl)propanoate
  • 2-(3-indolyl)propanoylmannitol
  • [(2r,3r,4r)-2,3,4,5-tetrahydroxypentyl] (2r)-2-(1h-indol-3-yl)propanoate
  • acremoauxin a
CAS Number(s)
  • 125537-93-1
InChIKey YBXVDDODTFXOHM-SEWBAHNZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N