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

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Formula C10H16N6O9P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonamidic acid
Molecular Mass 426.216 g·mol−1
Heat of Formation -1931.0 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 422.27 Å 3
Surface Area 362.46 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
InChIKey BGFWFCOIVFOQJB-KQYNXXCUSA-O
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