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

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Formula C32H57N5O9
IUPAC Name (6s,9s,12s,15s,18r,19r)-19-hexyl-6-[(1r)-1-hydroxyethyl]-9-(hydroxymethyl)-15-isobutyl-16,18-dimethyl-12-[(1s)-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 -2101.7 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 835.49 Å 3
Surface Area 583.25 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 0.67 ± eV
Point Group Symmetry C1
InChIKey VFGBXFZXJAWPOE-ZVHWZYRBSA-N
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