1-{[6-Amino-8-(3-Fluorophenyl)-9-Methyl-9H-Purin-2-Yl]Ethynyl}Cyclopentanol

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Properties Simple | Detailed

Formula C19H18FN5O
IUPAC Name 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-9-ium-2-yl]ethynyl]cyclopentanol
Molecular Mass 351.378 g·mol−1
Heat of Formation 186.7 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 407.63 Å 3
Surface Area 376.61 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]-1-cyclopentanol
  • 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclopentan-1-ol
InChIKey LPAMCBPWGRTOCP-UHFFFAOYSA-N
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