(3S,6R,9S,12R,15S,18R)-6,12,18-Triisobutyl-3,9,15-Triisopropyl-4,10,16-Trimethyl-1,7,13-Trioxa-4,10,16-Triazacyclooctadecane-2,5,8,11,14,17-Hexone

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Formula C36H63N3O9
IUPAC Name (3s,6r,9s,12r,15s,18r)-6,12,18-triisobutyl-3,9,15-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular Mass 681.900 g·mol−1
Heat of Formation -2057.8 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 894.15 Å 3
Surface Area 607.37 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 3.66 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6r,9s,12r,15s,18r)-4,10,16-trimethyl-6,12,18-tris(2-methylpropyl)-3,9,15-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
  • (3s,6r,9s,12r,15s,18r)-6,12,18-triisobutyl-3,9,15-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-triquinone
InChIKey MOIHBUDRMOLCQZ-OKXKEXSSSA-N
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