(2S,5S)-2-Amino-6-[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-5-(Propylamino)Hexanoic Acid

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Formula C18H29N7O5
IUPAC Name (2s,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid
Molecular Mass 423.467 g·mol−1
Heat of Formation -767.0 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 499.07 Å 3
Surface Area 419.91 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
InChIKey ONTKJSXUZCANMV-GTAFEMJLSA-O
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