Xanthopterin

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Properties Simple | Detailed

Formula C6H5N5O2
IUPAC Name 2-amino-1,5-dihydropteridine-3,8-diium-4a-ide-4,6-dione
Molecular Mass 179.136 g·mol−1
Heat of Formation -72.3 ± 16.7 kJ·mol−1
Dipole Moment 6.66 ± 1.08 D
Volume 182.08 Å 3
Surface Area 183.6 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 1.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-1,5-dihydropteridine-4,6-dione
  • 2-amino-1,5-dihydropteridine-4,6-quinone
  • 2-amino-4,6-dihydroxypyrimido(4,5-b)pyrazine
  • 2-amino-4,6-dihydroxypyrimido[4,5-b]pyrazine
  • 2-aminopteridine-4(3h),6(5h)-dione
  • 4,6-pteridinediol, 2-amino-
  • 4,6-pteridinediol, 2-amino- (8ci)
  • 4,6-pteridinedione, 2-amino-1,5-dihydro-
  • 4,6-pteridinedione, 2-amino-1,5-dihydro- (9ci)
  • 5979-01-1 (monohydrate)
  • ksantopterin
  • sdccgmls-0066573.p001
CAS Number(s)
  • 119-44-8
InChIKey VURKRJGMSKJIQX-UHFFFAOYSA-N
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