5'-S-[(2E)-1,8-Diamino-2-Octen-3-Yl]-5'-Thioadenosine

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Properties Simple | Detailed

Formula C18H29N7O3S
IUPAC Name (2s,3s,4r,5r)-2-[[(1e)-6-amino-1-(2-aminoethylidene)hexyl]sulfanylmethyl]-5-(6-amino-8h-purin-9-ium-8-ylium-9-yl)tetrahydrofuran-3,4-diol
Molecular Mass 423.533 g·mol−1
Heat of Formation -269.6 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 502.41 Å 3
Surface Area 446.67 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r)-2-[[(1e)-6-amino-1-(2-aminoethylidene)hexyl]sulfanylmethyl]-5-(6-aminopurin-9-yl)tetrahydrofuran-3,4-diol
  • (2s,3s,4r,5r)-2-[[[(1e)-6-amino-1-(2-aminoethylidene)hexyl]thio]methyl]-5-(6-amino-9-purinyl)tetrahydrofuran-3,4-diol
  • (2s,3s,4r,5r)-2-[[[(e)-3-amino-1-(5-aminopentyl)prop-1-enyl]thio]methyl]-5-(6-aminopurin-9-yl)tetrahydrofuran-3,4-diol
  • s-adenosyl-1,8-diamino-3-thiooctane
InChIKey SUUGLGYBZXSJAA-GNKSEPFMSA-N
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