[(2S,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-4-Hydroxy-2-[(1S)-1-Phosphonooxyethyl]Tetrahydrofuran-3-Yl] 2-Aminoacetate

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Formula C13H21N6O9P+
IUPAC Name [(2s,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-hydroxy-2-[(1s)-1-phosphonooxyethyl]tetrahydrofuran-3-yl] 2-aminoacetate
Molecular Mass 436.314 g·mol−1
Heat of Formation -1683.1 ± 16.7 kJ·mol−1
Dipole Moment 12.66 ± 1.08 D
Volume 437.24 Å 3
Surface Area 363.77 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
InChIKey KZMDMHLHDFKCJR-DUBDBKQXSA-P
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