[4-(Dihydroxymethyl)-5-Hydroxy-6-Methyl-3-Pyridinyl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C8H12NO7P
IUPAC Name [4-(dihydroxymethyl)-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate
Molecular Mass 265.157 g·mol−1
Heat of Formation -1426.2 ± 16.7 kJ·mol−1
Dipole Moment 7.43 ± 1.08 D
Volume 285.87 Å 3
Surface Area 265.39 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • [4-(dihydroxymethyl)-5-hydroxy-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate
  • [4-(dihydroxymethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
InChIKey WNSLUVKENIMLGR-UHFFFAOYSA-N
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