(S)-Dyphylline

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Properties Simple | Detailed

Formula C10H14N4O4
IUPAC Name 7-[(2s)-2,3-dihydroxypropyl]-1,3-dimethyl-purine-2,6-dione
Molecular Mass 254.243 g·mol−1
Heat of Formation -581.4 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 285.31 Å 3
Surface Area 262.25 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(2s)-2,3-dihydroxypropyl]-1,3-dimethyl-purine-2,6-dione
  • 7-[(2s)-2,3-dihydroxypropyl]-1,3-dimethylpurine-2,6-dione
InChIKey KSCFJBIXMNOVSH-LURJTMIESA-N
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