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

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Formula C33H34N2O5
IUPAC Name (4r,5s,6s,7r)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one
Molecular Mass 538.633 g·mol−1
Heat of Formation -457.7 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 638.26 Å 3
Surface Area 496.29 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 3.04 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s, 6s, 7r)-1,3-dibenzyl-4,7-bis(phenoxymethyl)-5,6-dihydroxy-1,3 diazepan-2-one
  • (4r,5s,6s,7r)-1,3-bis(benzyl)-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one
  • (4r,5s,6s,7r)-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-bis(phenylmethyl)-1,3-diazepan-2-one
  • ah1
  • aha001
  • cyclic urea 1a
InChIKey SQBOSZXDOHQFAA-ZRTHHSRSSA-N
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