5-[(1S)-1-Hydroxy-2-{[(2S)-1-(4-Hydroxyphenyl)-2-Propanyl]Amino}Ethyl]-1,3-Benzenediol

Molecule SVG Image

Properties Simple | Detailed

Formula C17H21NO4
IUPAC Name 5-[(1s)-1-hydroxy-2-[[(1s)-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]benzene-1,3-diol
Molecular Mass 303.353 g·mol−1
Heat of Formation -616.2 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 374.17 Å 3
Surface Area 336.52 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.91 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(1s)-1-hydroxy-2-[[(1s)-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]benzene-1,3-diol
  • 5-[(1s)-1-hydroxy-2-[[(1s)-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]resorcinol
  • 5-[(1s)-1-hydroxy-2-[[(1s)-2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]benzene-1,3-diol
  • 5-[(1s)-1-hydroxy-2-[[(2s)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]benzene-1,3-diol
  • cas-16409
InChIKey LSLYOANBFKQKPT-APPDUMDISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N