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

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Formula C13H19N6O8P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-aminopropanoate
Molecular Mass 418.299 g·mol−1
Heat of Formation -1522.4 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 437.34 Å 3
Surface Area 368.63 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
InChIKey SEHGLBBIMXJNOX-MACXSXHHSA-O
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