5-{[2,4-Bis(Phosphonooxy)Benzyl]Amino}-1-Naphthalenesulfonic Acid

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Properties Simple | Detailed

Formula C17H17NO11P2S
IUPAC Name [5-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2-[(5-sulfonato-1-naphthyl)azanidylmethyl]benzene-4-id-1-yl] hydrogen phosphate
Molecular Mass 505.329 g·mol−1
Heat of Formation -1101.0 ± 16.7 kJ·mol−1
Dipole Moment 17.77 ± 1.08 D
Volume 482.18 Å 3
Surface Area 412.31 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -3.60 ± eV
Point Group Symmetry C1
Synonyms
  • 1-naphthalenesulfonic acid, 5-(((2,4-bis(phosphonooxy)phenyl)methyl)amino)-, (3r-(3alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha))-
  • 5-[(2,4-diphosphonooxybenzyl)amino]naphthalene-1-sulfonic acid
  • 5-[(2,4-diphosphonooxyphenyl)methylamino]-1-naphthalenesulfonic acid
  • dipans
  • n-(2,4-diphosphobenzyl)-1-amino-5-naphthalenesulfonic acid
CAS Number(s)
  • 66731-46-2
InChIKey UFSQFZYUGSALND-UHFFFAOYSA-N
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