[6-(Cyclopentylsulfanyl)-9H-Purin-9-Yl]Methanol

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Properties Simple | Detailed

Formula C11H14N4OS
IUPAC Name (6-cyclopentylsulfanylpurin-9-ium-9-yl)methanol
Molecular Mass 250.320 g·mol−1
Heat of Formation 52.4 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 288.58 Å 3
Surface Area 268.87 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • (6-cyclopentylsulfanylpurin-9-yl)methanol
  • 6-cyclopentylthio-9-hydroxymethylpurine
  • 9h-purine-9-methanol, 6-(cyclopentylthio)-
  • 9h-purine-9-methanol, 6-(cyclopentylthio)- (8ci)(9ci)
  • [6-(cyclopentylthio)-9-purinyl]methanol
  • [6-(cyclopentylthio)purin-9-yl]methanol
CAS Number(s)
  • 14196-96-4
InChIKey GCEYOLZOWJIRPR-UHFFFAOYSA-N
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