2-[(2Z)-2-{4-Formyl-6-Methyl-5-Oxo-3-[(Phosphonooxy)Methyl]-2(5H)-Pyridinylidene}Hydrazino]Benzenesulfonic Acid

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Properties Simple | Detailed

Formula C14H14N3O9PS
IUPAC Name 2-[(2z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzenesulfonic acid
Molecular Mass 431.314 g·mol−1
Heat of Formation -1457.0 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 433.84 Å 3
Surface Area 381.1 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2z)-2-[4-methanoyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzenesulfonic acid
  • 2-[(n'z)-n'-[4-formyl-5-keto-6-methyl-3-(phosphonooxymethyl)-2-pyridylidene]hydrazino]benzenesulfonic acid
  • 2-[(n'z)-n'-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)-2-pyridylidene]hydrazino]benzenesulfonic acid
  • benzenesulfonic acid, 2-((4-formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)azo)-
  • ppaps
  • pyridoxal phosphate-6-azophenyl-2'-sulfonic acid
CAS Number(s)
  • 121864-87-7
InChIKey RPVOVRHNBSDDRX-VKAVYKQESA-N
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