3-[(1R)-1-({(2S)-2-Hydroxy-3-[Hydroxy(4-Methoxybenzyl)Phosphoryl]Propyl}Amino)Ethyl]Benzoic Acid

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Formula C20H26NO6P
IUPAC Name 3-[(1r)-1-[[(2s)-2-hydroxy-3-[hydroxy-[(4-methoxyphenyl)methyl]phosphoryl]propyl]amino]ethyl]benzoic acid
Molecular Mass 407.397 g·mol−1
Heat of Formation -1125.8 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 491.17 Å 3
Surface Area 418.98 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(1r)-1-[[(2s)-2-hydroxy-3-[hydroxy-(4-methoxybenzyl)phosphoryl]propyl]amino]ethyl]benzoic acid
  • 3-[(1r)-1-[[(2s)-2-hydroxy-3-[hydroxy-[(4-methoxyphenyl)methyl]phosphoryl]propyl]amino]ethyl]benzoic acid
InChIKey BNLKCYMEXMEKCJ-KDOFPFPSSA-N
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