4-Formyl-5-(Hydroxymethyl)-2-Methyl-3-Pyridinyl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C8H9NO6S
IUPAC Name [4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridyl] hydrogen sulfate
Molecular Mass 247.225 g·mol−1
Heat of Formation -924.0 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 243.88 Å 3
Surface Area 223.53 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • (4-formyl-2-methyl-5-methylol-3-pyridyl) hydrogen sulfate
  • [4-formyl-5-(hydroxymethyl)-2-methylpyridin-3-yl] hydrogen sulfate
  • [5-(hydroxymethyl)-4-methanoyl-2-methyl-pyridin-3-yl] hydrogen sulfate
  • pyridoxal 3-sulfate
CAS Number(s)
  • 107467-08-3
InChIKey XDBPDBYGCCFJLZ-UHFFFAOYSA-N
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