4-[(2E)-2-{4-Formyl-6-Methyl-5-Oxo-3-[(Phosphonooxy)Methyl]-2(5H)-Pyridinylidene}Hydrazino]-1,3-Benzenedisulfonic Acid

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Properties Simple | Detailed

Formula C14H19N3O12PS2
IUPAC Name [2-(2,4-disulfonatoanilino)azanidyl-6-methyl-5-oxo-4-(oxomethyl)pyridin-1-ium-3-yl]methyl phosphate
Molecular Mass 516.417 g·mol−1
Heat of Formation -1954.6 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 487.05 Å 3
Surface Area 415.97 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -2.42 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-benzenedisulfonic acid, 4-((4-formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)azo)-
  • 4-((4-formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)azo)-1,3-benzenedisulfonic acid
  • 4-[(2e)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzene-1,3-disulfonic acid
  • 4-[(2e)-2-[4-methanoyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzene-1,3-disulfonic acid
  • 4-[(n'e)-n'-[4-formyl-5-keto-6-methyl-3-(phosphonooxymethyl)-2-pyridylidene]hydrazino]benzene-1,3-disulfonic acid
  • 4-[(n'e)-n'-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)-2-pyridylidene]hydrazino]benzene-1,3-disulfonic acid
  • pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid
  • pyridoxalphosphate-6-azophenyl-2',4'-disulfonic acid
CAS Number(s)
  • 149017-66-3
InChIKey DNHPNPMMYMXEBP-SAPNQHFASA-N
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