2-Amino-9-{[(2S)-2,3-Dihydroxypropoxy]Methyl}-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C9H13N5O4
IUPAC Name 2-amino-9-(2,3-dihydroxypropoxymethyl)-2,3,4,5,7,8-hexahydro-1h-purin-6-one
Molecular Mass 255.231 g·mol−1
Heat of Formation -462.2 ± 16.7 kJ·mol−1
Dipole Moment 11.28 ± 1.08 D
Volume 280.44 Å 3
Surface Area 248.58 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-indg
  • 6h-purin-6-one, 2-amino-9-[[[(2s)-2,3-dihydroxypropyl]oxy]methyl]-1,9-dihydro-
InChIKey YMJRISBBXAOKCD-YFKPBYRVSA-N
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