(2R,3S)-2,3-Dihydroxy-3-(1H-Imidazol-4-Yl)Propyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C6H11N2O6P
IUPAC Name [(2r,3s)-2,3-dihydroxy-3-imidazol-3-ium-4-ylium-4-yl-propyl] dihydrogen phosphate
Molecular Mass 238.135 g·mol−1
Heat of Formation -1302.1 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 246.38 Å 3
Surface Area 237.4 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,3-propanetriol, 1-(1h-imidazol-4-yl)-, 3-(dihydrogen phosphate), (1s,2r)-
  • [(2r,3s)-2,3-dihydroxy-3-(3h-imidazol-4-yl)propyl] dihydrogen phosphate
  • d-erythro-1-(imidazol-4-yl)glycerol 3-phosphate
  • d-erythro-imidazole-glycerol 3-phosphate
  • d-erythro-imidazole-glycerol phosphate
  • d-erythro-imidazoleglycerol-phosphate
CAS Number(s)
  • 36244-87-8
InChIKey HFYBTHCYPKEDQQ-RITPCOANSA-N
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