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

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Formula C16H26N9O8P
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-amino-5-guanidino-pentanoate
Molecular Mass 503.407 g·mol−1
Heat of Formation -1513.2 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 539.73 Å 3
Surface Area 396.98 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey ZQMGVCFXALCKRW-TWBCTODHSA-O
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