9-(4-Thio-β-D-Arabinofuranosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C10H13N5O3S
IUPAC Name 2-(6-aminopurin-9-ium-9-yl)-5-(hydroxymethyl)tetrahydrothiophene-3,4-diol
Molecular Mass 283.307 g·mol−1
Heat of Formation -283.8 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 303.42 Å 3
Surface Area 266.01 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrothiophene-3,4-diol
  • (2r,3s,4s,5r)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrothiophene-3,4-diol
  • (2r,3s,4s,5r)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrothiophene-3,4-diol
  • 9-(4-thio-beta-d-arabinofuranosyl) adenine
InChIKey SIGIJBMOORTVPB-UHTZMRCNSA-N
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