5'-S-{1-Amino-8-[(3-Aminopropyl)Amino]-3-Octanyl}-5'-Thioadenosine

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Properties Simple | Detailed

Formula C21H34N8O3S
IUPAC Name 3-[[(6s)-8-amino-6-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]octyl]amino]propanenitrile
Molecular Mass 478.611 g·mol−1
Heat of Formation -369.1 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 594.89 Å 3
Surface Area 528.89 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
InChIKey IYEWZPHRHXRMCW-UQEZQTQMSA-N
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