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

Molecule SVG Image

Properties Simple | Detailed

Formula C14H21N3O9PS
IUPAC Name 2-[(2z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzenesulfonic acid
Molecular Mass 438.370 g·mol−1
Heat of Formation -1044.2 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 451.11 Å 3
Surface Area 388.12 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -2.14 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S