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

Molecule SVG Image

Properties Simple | Detailed

Formula C16H20N4O5S
IUPAC Name 3-(7,8,10-trimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-3-yl)propane-1-sulfonic acid
Molecular Mass 380.419 g·mol−1
Heat of Formation -775.1 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 414.54 Å 3
Surface Area 371.31 Å 2
HOMO Energy -7.68 ± 0.55 eV
LUMO Energy 2.35 ± 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
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N