(2S)-2-Amino-2-(Hydroxymethyl)-4-(4-Octylphenyl)Butyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C19H34NO5P
IUPAC Name [(2s)-2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate
Molecular Mass 387.451 g·mol−1
Heat of Formation -1362.7 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 494.81 Å 3
Surface Area 447.46 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s)-2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate
  • [(2s)-2-amino-2-methylol-4-(4-octylphenyl)butyl] dihydrogen phosphate
InChIKey LRFKWQGGENFBFO-IBGZPJMESA-N
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