(4R,5S,6S,7R)-1,3-Diallyl-4,7-Dibenzyl-5,6-Dihydroxy-1,3-Diazepan-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C25H30N2O3
IUPAC Name (4r,5s,6s,7r)-1,3-diallyl-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one
Molecular Mass 406.517 g·mol−1
Heat of Formation -259.1 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 512.87 Å 3
Surface Area 394.67 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 3.13 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s,6s,7r)-1,3-diallyl-4,7-bis(benzyl)-5,6-dihydroxy-1,3-diazepan-2-one
  • (4r,5s,6s,7r)-1,3-diallyl-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-diazepan-2-one
  • (4r,5s,6s,7r)-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-di(prop-2-enyl)-1,3-diazepan-2-one
  • (4r-(4alpha,5alpha,6beta,7beta))-1,3-diallyl-5,6-dihydroxy-4,7-dibenzyl-1,3-diazepin-2-one
  • 2h-1,3-diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-di-2-propenyl-, (4r,5s,6s,7r)-
  • [4-r-(4-alpha,6-beta,7-beta]-hexahydro-5,6-di(hydroxy)-1,3-di(allyl)-4,7-bisphenylmethyl)-2h-1,3-diazepinone
  • [4r-(4.alpha.,5.alpha.,6.beta.,7.beta.)]-1,3-diallyl-5,6-dihydroxy-4,7-dibenzyl-1,3-diazepin-2-one
  • xk216
CAS Number(s)
  • 153223-14-4
InChIKey IWJSQELMWLOYSO-LWSSLDFYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N