{3-[(1R)-3-(3,4-Dimethoxyphenyl)-1-({[(2S)-1-{[(1R,2S)-2-Ethyl-1-Hydroxycyclohexyl](Oxo)Acetyl}-2-Piperidinyl]Carbonyl}Oxy)Propyl]Phenoxy}Acetic Acid

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Properties Simple | Detailed

Formula C35H45NO10
IUPAC Name 2-[3-[(1r)-3-(3,4-dimethoxyphenyl)-1-[(2s)-1-[2-[(1r,2s)-2-ethyl-1-hydroxy-cyclohexyl]-2-oxo-acetyl]piperidine-2-carbonyl]oxy-propyl]phenoxy]acetic acid
Molecular Mass 639.732 g·mol−1
Heat of Formation -1708.0 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 765.95 Å 3
Surface Area 561.59 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 3.08 ± eV
Point Group Symmetry C1
InChIKey JLRDMSUQFUWACS-RORDBKJESA-N
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