2-Amino-9-{[(1R,2S)-2-(Hydroxymethyl)Cyclohexyl]Methyl}-3,9-Dihydro-6H-Purin-6-One

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Formula C13H26N5O2+
IUPAC Name 2-amino-9-[[(1r,2s)-2-(hydroxymethyl)cyclohexyl]methyl]-3,8-dihydropurine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 284.378 g·mol−1
Heat of Formation -189.0 ± 16.7 kJ·mol−1
Dipole Moment 14.46 ± 1.08 D
Volume 327.57 Å 3
Surface Area 280.43 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[[(1r,2s)-2-(hydroxymethyl)cyclohexyl]methyl]-3h-purin-6-one
  • 2-amino-9-[[(1r,2s)-2-methylolcyclohexyl]methyl]-3h-purin-6-one
InChIKey NNUZPTLISFKQLP-DTWKUNHWSA-N
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