9H-Purin-2-Amine, 9-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-6-(2-(Ethylthio)Ethoxy)-

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Properties Simple | Detailed

Formula C14H21N5O4S
IUPAC Name (2r,3s,5r)-5-[2-amino-6-(2-ethylsulfanylethoxy)purin-9-ium-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
Molecular Mass 355.413 g·mol−1
Heat of Formation -515.0 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 412.27 Å 3
Surface Area 334.06 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5r)-5-[2-amino-6-(2-ethylsulfanylethoxy)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
  • (2r,3s,5r)-5-[2-amino-6-(2-ethylsulfanylethoxy)purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
  • (2r,3s,5r)-5-[2-amino-6-[2-(ethylthio)ethoxy]-9-purinyl]-2-(hydroxymethyl)-3-tetrahydrofuranol
  • (2r,3s,5r)-5-[2-amino-6-[2-(ethylthio)ethoxy]purin-9-yl]-2-methylol-tetrahydrofuran-3-ol
InChIKey NEJQGIFDVXUVQA-IVZWLZJFSA-N
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