(2S)-2-Amino-N-[(2R,3R,4S,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-3-Yl]-3-Methyl-Butanamide

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Formula C15H23N7O4
IUPAC Name (2s)-2-amino-n-[(2r,3r,4s,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]-3-methyl-butanamide
Molecular Mass 365.388 g·mol−1
Heat of Formation -516.0 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 424.91 Å 3
Surface Area 361.62 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
InChIKey OTEMOMFXXUJOIL-QNNFVPKKSA-O
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