9-(5-S-Isobutyl-5-Thio-α-D-Arabinofuranosyl)-9H-Purin-6-Amine

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Formula C14H21N5O3S
IUPAC Name (2s,3s,4s,5s)-2-(6-aminopurin-9-yl)-5-(isobutylsulfanylmethyl)tetrahydrofuran-3,4-diol
Molecular Mass 339.413 g·mol−1
Heat of Formation -384.0 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 393.63 Å 3
Surface Area 311.81 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5s)-2-(6-amino-9-purinyl)-5-[(isobutylthio)methyl]tetrahydrofuran-3,4-diol
  • (2s,3s,4s,5s)-2-(6-aminopurin-9-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
  • (2s,3s,4s,5s)-2-(6-aminopurin-9-yl)-5-(isobutylsulfanylmethyl)tetrahydrofuran-3,4-diol
  • (2s,3s,4s,5s)-2-(6-aminopurin-9-yl)-5-[(isobutylthio)methyl]tetrahydrofuran-3,4-diol
InChIKey JDDUQGRUPLKDNT-GJTWSCIVSA-N
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