N-Heptyl-N~3~-[(2R)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy)Butanoyl]-β-Alaninamide

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Formula C16H33N2O7P
IUPAC Name [(3r)-4-[[3-(heptylamino)-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butyl] dihydrogen phosphate
Molecular Mass 396.416 g·mol−1
Heat of Formation -1857.2 ± 16.7 kJ·mol−1
Dipole Moment 6.93 ± 1.08 D
Volume 486.38 Å 3
Surface Area 419.65 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
InChIKey QTSWMJJVYAHWSJ-AWEZNQCLSA-N
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