(6R,9R,12S,15S,18R,19R)-19-Hexyl-6-(1-Hydroxyethyl)-9-(Hydroxymethyl)-15-Isobutyl-16,18-Dimethyl-12-Sec-Butyl-1-Oxa-4,7,10,13,16-Pentazacyclononadecane-2,5,8,11,14,17-Hexone

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Formula C32H57N5O9
IUPAC Name (6r,9r,12s,15s,18r,19r)-19-hexyl-6-[(1s)-1-hydroxyethyl]-9-(hydroxymethyl)-15-isobutyl-16,18-dimethyl-12-[(1r)-1-methylpropyl]-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Molecular Mass 655.823 g·mol−1
Heat of Formation -2063.4 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 837.25 Å 3
Surface Area 594.29 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,9r,12s,15s,18r,19r)-12-[(2r)-butan-2-yl]-19-hexyl-6-(1-hydroxyethyl)-9-(hydroxymethyl)-16,18-dimethyl-15-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
  • (6r,9r,12s,15s,18r,19r)-19-hexyl-6-(1-hydroxyethyl)-15-isobutyl-16,18-dimethyl-9-methylol-12-sec-butyl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-triquinone
  • 6-((1r)-1-methylpropyl)-12-((1s)-1-hydroxyethyl)(3s,6s,9r,12r,18r,19r)-18-hexyl-9-(hydroxymethyl)-2,19-dimethyl-3-(2-methylpropyl)-17-oxa-2,5,8,11,14-pentaazacyclononadecane-1,4,7,10,13,16-hexaone
InChIKey VFGBXFZXJAWPOE-UEMXSQFKSA-N
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