(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
Properties
Property | Value |
---|---|
Formula | C20H30N2O3 |
IUPAC Name | (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 |
QR Code | Generate QR Code |
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Elements | H C O N |