[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] (2S)-2-Acetamido-3-Phenyl-Propanoate

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Properties Simple | Detailed

Formula C21H24N6O6
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] (2s)-2-acetamido-3-phenyl-propanoate
Molecular Mass 456.452 g·mol−1
Heat of Formation -749.7 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 517.95 Å 3
Surface Area 417.63 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
InChIKey RLOUYLZKGVLXAX-SWQDORGXSA-O
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