9-((2,2-Bis(Hydroxymethyl)Cyclopropylidene)Methyl)Guanine

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Properties Simple | Detailed

Formula C11H13N5O3
IUPAC Name 2-amino-9-[(e)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-3h-purin-6-one
Molecular Mass 263.253 g·mol−1
Heat of Formation -72.7 ± 16.7 kJ·mol−1
Dipole Moment 8.68 ± 1.08 D
Volume 296.72 Å 3
Surface Area 275.74 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-9-{[2,2-bis(hydroxymethyl)cyclopropylidene]methyl}guanine
  • 2-amino-9-[(e)-(2,2-dimethylolcyclopropylidene)methyl]-3h-purin-6-one
  • zsm-i-64
InChIKey KMUNHOKTIVSFRA-QHHAFSJGSA-N
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