6-[(1S,2R)-1,2-Dihydroxypropyl]-2,4(1H,3H)-Pteridinedione

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Properties Simple | Detailed

Formula C9H10N4O4
IUPAC Name 6-[(1s,2r)-1,2-dihydroxypropyl]-1h-pteridine-2,4-dione
Molecular Mass 238.200 g·mol−1
Heat of Formation -518.6 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 257.75 Å 3
Surface Area 239.29 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pteridinedione, 6-(1,2-dihydroxypropyl)-, (s-(r*,s*))-
  • 6-[(1s,2r)-1,2-dihydroxypropyl]-1h-pteridine-2,4-dione
  • 6-[(1s,2r)-1,2-dihydroxypropyl]-1h-pteridine-2,4-quinone
  • biolumazine
CAS Number(s)
  • 94591-24-9
InChIKey MUICRGVRTFYNPC-AWFVSMACSA-N
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