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

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Properties Simple | Detailed

Formula C11H15N5O3
IUPAC Name 2-amino-9-[[(1s,2r)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-3h-purin-6-one
Molecular Mass 265.268 g·mol−1
Heat of Formation -187.3 ± 16.7 kJ·mol−1
Dipole Moment 13.44 ± 1.08 D
Volume 302.61 Å 3
Surface Area 267.62 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (1's,2'r)-9-{[1',2'-bis(hydroxymethyl)cycloprop-1'-yl]methyl}guanine
  • 2-amino-9-[[(1s,2r)-1,2-dimethylolcyclopropyl]methyl]-3h-purin-6-one
  • a-5021
InChIKey JLYSZBQNRJVPEP-KGFZYKRKSA-N
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