[[[(4R)-5-Amino-4-[[(2R)-2-[6-[[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Carbonyl]Amino]Hexanoylamino]-5-[[Azanidyl(Azaniumylidene)Methyl]Amino]Pentanoyl]Amino]-5-Oxo-Pentyl]Amino]-Azaniumylidene-Methyl]Azanide

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Formula C28H51N15O7
IUPAC Name [[[(4r)-5-amino-4-[[(2r)-2-[6-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbonyl]amino]hexanoylamino]-5-[[azanidyl(azaniumylidene)methyl]amino]pentanoyl]amino]-5-oxo-pentyl]amino]-azaniumylidene-methyl]azanide
Molecular Mass 709.801 g·mol−1
Heat of Formation -1050.2 ± 16.7 kJ·mol−1
Dipole Moment 8.46 ± 1.08 D
Volume 843.55 Å 3
Surface Area 721.54 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
InChIKey QTGFXBYCAHPVDC-KRNUZZCISA-O
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