(3S,6R,9S,12S,14E,16R,18S)-6-(4-Hydroxy-3-Iodobenzyl)-3,7,9,12,14,16,18-Heptamethyl-1-Oxa-4,7,10-Triazacyclooctadec-14-Ene-2,5,8,11-Tetrone

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Formula C28H40IN3O6
IUPAC Name (3s,6r,9s,12s,14e,16r,18s)-6-[(4-hydroxy-3-iodo-phenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
Molecular Mass 641.538 g·mol−1
Heat of Formation -1149.9 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 701.34 Å 3
Surface Area 502.07 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6r,9s,12s,14e,16r,18s)-6-(4-hydroxy-3-iodo-benzyl)-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-diquinone
  • (3s,6r,9s,12s,14e,16r,18s)-6-[(4-hydroxy-3-iodo-phenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
InChIKey QMYRWKWZINECMT-SVSKSJJFSA-N
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