3-[(1R)-1-({(2S)-3-[(Cyclohexylmethyl)(Hydroxy)Phosphoryl]-2-Hydroxypropyl}Amino)Ethyl]Benzoic Acid

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Formula C19H30NO5P
IUPAC Name 3-[(1r)-1-[[(2s)-3-[cyclohexylmethyl(hydroxy)phosphoryl]-2-hydroxy-propyl]amino]ethyl]benzoic acid
Molecular Mass 383.419 g·mol−1
Heat of Formation -1162.9 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 471.65 Å 3
Surface Area 372.74 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(1r)-1-[[(2s)-3-(cyclohexylmethyl-hydroxy-phosphoryl)-2-hydroxy-propyl]amino]ethyl]benzoic acid
  • 3-[(1r)-1-[[(2s)-3-(cyclohexylmethyl-hydroxyphosphoryl)-2-hydroxypropyl]amino]ethyl]benzoic acid
InChIKey JCFULPDIJOVUHP-KDOFPFPSSA-N
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