5'-S-[2-(Decylamino)Ethyl]-5'-Thioadenosine

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Properties Simple | Detailed

Formula C22H38N6O3S
IUPAC Name (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-[2-(decylamino)ethylsulfanylmethyl]tetrahydrofuran-3,4-diol
Molecular Mass 466.641 g·mol−1
Heat of Formation -467.3 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 581.93 Å 3
Surface Area 524.62 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s)-2-(6-amino-9-purinyl)-5-[[2-(decylamino)ethylthio]methyl]tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-[2-(decylamino)ethylsulfanylmethyl]tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-[[2-(decylamino)ethylthio]methyl]tetrahydrofuran-3,4-diol
InChIKey CJIJFWHOTNCRDA-WGQQHEPDSA-N
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