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

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Properties Simple | Detailed

Formula C8H12NO6P
IUPAC Name [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl dihydrogen phosphate
Molecular Mass 249.158 g·mol−1
Heat of Formation -1317.4 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 263.91 Å 3
Surface Area 247.76 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl dihydrogen phosphate
  • 3,4-pyridinedimethanol, 5-hydroxy-6-methyl-, alpha(3)-(dihydrogen phosphate)
  • 3,4-pyridinedimethanol, 5-hydroxy-6-methyl-, alpha(sup 3)-(dihydrogen phosphate) (9ci)
  • 5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridylmethyl dihydrogen phosphate
  • [5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate
  • [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
  • pxp
  • pyridoxine 5'-(dihydrogen phosphate)
  • pyridoxine 5'-phosphate
  • pyridoxine 5-phosphate
  • pyridoxine phosphate
  • pyridoxine-5'-phosphate
  • pyridoxine-5p
  • pyridoxine-p
  • pyridoxine-phosphate
  • pyridoxol 5-phosphate
  • pyridoxol, 5-(dihydrogen phosphate)
  • pyridoxyl-5-phosphate
CAS Number(s)
  • 447-05-2
InChIKey WHOMFKWHIQZTHY-UHFFFAOYSA-N
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