(4S)-4-Hydroxy-5-[4-(3-{4-[(3S)-3-Hydroxy-4,4-Dimethylpentyl]-3-Methylphenyl}-3-Pentanyl)-2-Methylphenoxy]Pentanoic Acid

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Properties Simple | Detailed

Formula C31H46O5
IUPAC Name (4s)-5-[4-[1-ethyl-1-[4-[(3s)-3-hydroxy-4,4-dimethyl-pentyl]-3-methyl-phenyl]propyl]-2-methyl-phenoxy]-4-hydroxy-pentanoic acid
Molecular Mass 498.694 g·mol−1
Heat of Formation -1120.3 ± 16.7 kJ·mol−1
Dipole Moment 1.64 ± 1.08 D
Volume 661.96 Å 3
Surface Area 543.99 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 3.31 ± eV
Point Group Symmetry C1
InChIKey YAAVVZVAZRPBGF-XCZPVHLTSA-N
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Elements H C O