(5S)-5-{[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl}-L-Lysine

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Formula C16H25N7O5
IUPAC Name (2s,5s)-2-amino-5-(aminomethyl)-6-[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]hexanoic acid
Molecular Mass 395.414 g·mol−1
Heat of Formation -736.1 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 457.2 Å 3
Surface Area 352.45 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
InChIKey CPUNUFGYWFHFOF-TVDBPQCTSA-N
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