Isoxanthopterin

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Properties Simple | Detailed

Formula C6H6N5O2++
IUPAC Name 2-aminopteridin-2-ylium-3-ide-4,7-dione
Molecular Mass 180.144 g·mol−1
Heat of Formation -61.5 ± 16.7 kJ·mol−1
Dipole Moment 8.95 ± 1.08 D
Volume 184.25 Å 3
Surface Area 184.25 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-1,8-dihydropteridine-4,7-dione
  • 2-amino-1,8-dihydropteridine-4,7-quinone
  • 2-amino-4,7(1h,8h)-pteridinedione
  • 2-amino-4,7(3h,8h)-pteridinedione
  • 2-amino-4,7-dihydroxy-1,3,5,8-tetraazanaphthalene
  • 2-amino-4,7-dihydroxypteridine
  • 2-amino-4,7-pteridinediol
  • 2-aminopteridine-4,7-diol
  • 4,7(1h,8h)-pteridinedione, 2-amino-
  • 4,7(1h,8h)-pteridinedione, 2-amino- (9ci)
  • 4,7(3h,8h)-pteridinedione, 2-amino-
  • ranachrome 4
CAS Number(s)
  • 529-69-1
InChIKey GLKCOBIIZKYKFN-UHFFFAOYSA-N
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