3-(7,8,10-Trimethyl-2,4-Dioxo-1,4,5,10-Tetrahydrobenzo[G]Pteridin-3(2H)-Yl)-1-Propanesulfonic Acid

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Formula C16H20N4O5S++++
IUPAC Name 3-(7,8,10-trimethyl-2,4-dioxo-benzo[g]pteridine-5,10-diium-3-yl)propane-1-sulfonic acid
Molecular Mass 380.419 g·mol−1
Heat of Formation -767.6 ± 16.7 kJ·mol−1
Dipole Moment 6.31 ± 1.08 D
Volume 414.04 Å 3
Surface Area 371.67 Å 2
HOMO Energy -7.57 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 1,5-dihydro-3-(3-sulfopropyl)lumiflavin
  • 3-(2,4-diketo-7,8,10-trimethyl-1,5-dihydrobenzo[g]pteridin-3-yl)propane-1-sulfonic acid
  • 3-(7,8,10-trimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-3-yl)propane-1-sulfonic acid
  • flh2
CAS Number(s)
  • 91385-12-5
InChIKey MYQMFPRXICJOND-UHFFFAOYSA-N
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