(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridinyl)Methyl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C8H9NO6S
IUPAC Name (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl hydrogen sulfate
Molecular Mass 247.225 g·mol−1
Heat of Formation -897.3 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 252.35 Å 3
Surface Area 237.26 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl hydrogen sulfate
  • (5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)methyl hydrogen sulfate
  • 4-pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-((sulfooxy)methyl)-
  • pyridoxal 5'-sulfate
CAS Number(s)
  • 40225-35-2
InChIKey OJQQRWWUNXTWER-UHFFFAOYSA-N
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