(5-Hydroxy-4,6-Dimethyl-3-Pyridinyl)Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C8H12NO5P
IUPAC Name (5-hydroxy-4,6-dimethyl-3-pyridyl)methyl dihydrogen phosphate
Molecular Mass 233.158 g·mol−1
Heat of Formation -1155.2 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 249.66 Å 3
Surface Area 241.41 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • (5-hydroxy-4,6-dimethyl-pyridin-3-yl)methyl dihydrogen phosphate
  • 4'-deoxypyridoxine phosphate
  • 4-deoxypyridoxine 5'-phosphate
  • 5-hydroxy-4,6-dimethyl-3-pyridinemethanol 3-(dihydrogen phosphate)
  • deoxypyridoxine-p
  • plr
CAS Number(s)
  • 883-84-1
InChIKey RBCOYOYDYNXAFA-UHFFFAOYSA-N
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