(2S,3S,4As,8As)-2-[(2R,3S)-3-Amino-2-Hydroxy-4-Phenyl-Butyl]-3,4,4A,5,6,7,8,8A-Octahydro-1H-Isoquinoline-3-Carboxylic Acid

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Formula C20H30N2O3
IUPAC Name (2s,3s,4as,8as)-2-[(2r,3s)-3-amino-2-hydroxy-4-phenyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1h-isoquinoline-3-carboxylic acid
Molecular Mass 346.464 g·mol−1
Heat of Formation -588.0 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 436.07 Å 3
Surface Area 354.44 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
InChIKey HQTYAKTTZLHJLL-XCDZQEORSA-N
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