(2S)-3-[4-(4-{4-[(2R)-2-Hydroxy-3,3-Dimethylbutoxy]Phenyl}-4-Heptanyl)Phenoxy]-1,2-Propanediol

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Formula C28H42O5
IUPAC Name (2s)-3-[4-[1-[4-[(2r)-2-hydroxy-3,3-dimethyl-butoxy]phenyl]-1-propyl-butyl]phenoxy]propane-1,2-diol
Molecular Mass 458.630 g·mol−1
Heat of Formation -967.2 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 602.34 Å 3
Surface Area 509.77 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 3.10 ± eV
Point Group Symmetry C1
InChIKey PJASVJJQJUYPCG-OZXSUGGESA-N
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Elements H C O