7-[(2R)-2-Hydroxypropyl]-1,3-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C10H15N4O3
IUPAC Name 7-[(2r)-2-hydroxypropyl]-1,3-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 239.251 g·mol−1
Heat of Formation -433.2 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 270.63 Å 3
Surface Area 248.38 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6-dione, 3,7-dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-, (r)-
  • 7-[(2r)-2-hydroxypropyl]-1,3-dimethyl-purine-2,6-dione
  • 7-[(2r)-2-hydroxypropyl]-1,3-dimethyl-xanthine
  • 7-[(2r)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
CAS Number(s)
  • 86540-96-7
InChIKey KYHQZNGJUGFTGR-ZCFIWIBFSA-N
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