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

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Properties Simple | Detailed

Formula C8H11NO6S
IUPAC Name [4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl] hydrogen sulfate
Molecular Mass 249.241 g·mol−1
Heat of Formation -1001.5 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 253.45 Å 3
Surface Area 227.17 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (2-methyl-4,5-dimethylol-3-pyridyl) hydrogen sulfate
  • 3,4-pyridinedimethanol, 6-methyl-5-(sulfooxy)-
  • 6-methyl-5-(sulfooxy)-3,4-pyridinedimethanol
  • [4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-yl] hydrogen sulfate
  • [4,5-bis(hydroxymethyl)-2-methylpyridin-3-yl] hydrogen sulfate
  • pyridoxine 3-sulfate
CAS Number(s)
  • 107467-06-1
InChIKey KEXPIEQVJDWERO-UHFFFAOYSA-N
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