[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] (2R)-2-Amino-6-(Butanoylamino)Hexanoate

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Formula C20H32N7O9P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2r)-2-amino-6-(butanoylamino)hexanoate
Molecular Mass 545.483 g·mol−1
Heat of Formation -1768.7 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 612.34 Å 3
Surface Area 543.56 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey GBZRQUVINXDDFS-JCQVVMGJSA-O
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