(2S)-2-Amino-3-(1H-Imidazol-4-Yl)Propyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C6H12N3O4P
IUPAC Name [(2s)-2-amino-3-(4h-imidazol-3-ium-4-ylium-5-yl)propyl] dihydrogen phosphate
Molecular Mass 221.151 g·mol−1
Heat of Formation -943.4 ± 16.7 kJ·mol−1
Dipole Moment 9.19 ± 1.08 D
Volume 238.69 Å 3
Surface Area 227.82 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-4-propanol
  • 1h-imidazole-4-propanol, beta-amino-, dihydrogen phosphate (ester), (betas)- (9ci)
  • 1h-imidazole-4-propanol, beta-amino-, dihydrogen phosphate (ester), (s)-
  • 1h-imidazole-5-propanol, beta-amino-, dihydrogen phosphate (ester), (betas)-
  • [(2s)-2-amino-3-(3h-imidazol-4-yl)propyl] dihydrogen phosphate
  • beta-amino-dihydrogen phosphate (ester) (s)
  • imidazole-4-propanol-beta-amino-dihydrogen phosphate-l-
InChIKey CWNDERHTHMWBSI-YFKPBYRVSA-N
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