[(2R,3R,4R,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-5-[[Hydroxy(Methoxy)Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] (2R)-2-Amino-3-Hydroxy-Propanoate

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Formula C14H21N6O9P
IUPAC Name [(2r,3r,4r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-5-[[hydroxy(methoxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] (2r)-2-amino-3-hydroxy-propanoate
Molecular Mass 448.325 g·mol−1
Heat of Formation -1636.4 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 467.33 Å 3
Surface Area 387.36 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey IBXACUMKXNTAFA-KWGHVAAJSA-O
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