(2S,3R,4S,5S,6S)-4-[[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-3,5,6-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid

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Formula C16H24N5O17P2
IUPAC Name (2s,3r,4s,5s,6s)-4-[[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,5,6-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 620.333 g·mol−1
Heat of Formation -3458.8 ± 16.7 kJ·mol−1
Dipole Moment 15.72 ± 1.08 D
Volume 596.26 Å 3
Surface Area 409.17 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -2.10 ± eV
Point Group Symmetry C1
InChIKey ABAUPRMOGPHVOZ-AYXKHMKSSA-P
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