3,3'-(4,4'-Bipyridinium-1,1'-Diyl)Dipropane-1-Sulfonate

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Properties Simple | Detailed

Formula C16H28N2O6S2
IUPAC Name 1-(3-sulfopropyl)-4-[1-(3-sulfopropyl)-2h-pyridin-2-ylium-4-id-4-yl]-2h-pyridin-2-ylium-4-ide
Molecular Mass 408.533 g·mol−1
Heat of Formation -624.5 ± 16.7 kJ·mol−1
Dipole Moment 7.90 ± 1.08 D
Volume 431.26 Å 3
Surface Area 369.1 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1'-bis(3-sulfopropyl)-4,4'-bipyridinium dihydroxide, bis (inner salt)
  • 3-[4-[1-(3-sulfonatopropyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]propane-1-sulfonate
  • 4,4'-bipyridinium, 1,1'-bis(3-sulfopropyl)-, dihydroxide, bis (inner salt)
  • pvs-4,4'
CAS Number(s)
  • 77951-49-6
InChIKey AHTBJQLOYQLXMD-UHFFFAOYSA-N
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