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

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Properties Simple | Detailed

Formula C10H11N5O2
IUPAC Name 2-amino-9-[(z)-[(2s)-2-(hydroxymethyl)cyclopropylidene]methyl]-3h-purin-6-one
Molecular Mass 233.227 g·mol−1
Heat of Formation 122.8 ± 16.7 kJ·mol−1
Dipole Moment 11.67 ± 1.08 D
Volume 263.22 Å 3
Surface Area 249.63 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-((s)-2-hydroxymethyl-cyclopropylidenemethyl)-1,9-dihydro-purin-6-one
  • 2-amino-9-[(z)-[(2s)-2-(hydroxymethyl)cyclopropylidene]methyl]-3h-purin-6-one
  • 2-amino-9-[(z)-[(2s)-2-methylolcyclopropylidene]methyl]-3h-purin-6-one
InChIKey BGLCIGGDZYNYIQ-HYIMLASBSA-N
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