(5R,6R)-1,5-Dibenzyl-6-Hydroxy-2,4-Bis(4-Hydroxy-3-Methoxybenzyl)-1,2,4-Triazepan-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C34H37N3O6
IUPAC Name (1s,5r,6r)-1,5-dibenzyl-6-hydroxy-2,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]-1,2,4-triazepan-3-one
Molecular Mass 583.674 g·mol−1
Heat of Formation -557.4 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 715.55 Å 3
Surface Area 514.9 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6r)-1,5-bis(benzyl)-6-hydroxy-2,4-bis(4-hydroxy-3-methoxy-benzyl)-1,2,4-triazepan-3-one
  • (5r,6r)-2,4-bis(4-hydroxy-3-methoxybenzyl)-1,5-dibenzyl-6-hydroxy-3-oxo-1,2,4-triazacycloheptane
  • (5r,6r)-2,4-bis-(4-hydroxy-3-methoxybenzyl)-1,5-dibenzyl-3-oxo-6-hydroxy-1,2,4-triazacycloheptane
  • (5r,6r)-6-hydroxy-2,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]-1,5-bis(phenylmethyl)-1,2,4-triazepan-3-one
  • (5r,6r)-6-hydroxy-2,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-1,5-bis(phenylmethyl)-1,2,4-triazepan-3-one
  • a-98881
InChIKey PMBZSBGCSQGJAQ-GRKNLSHJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N