[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-N-[Hydroxy(Phosphonooxy)Phosphoryl]Phosphonamidic Acid

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Properties Simple | Detailed

Formula C10H17N6O11P3
IUPAC Name [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-n-[hydroxy(phosphonooxy)phosphoryl]phosphonamidic acid
Molecular Mass 490.197 g·mol−1
Heat of Formation -2658.6 ± 16.7 kJ·mol−1
Dipole Moment 6.50 ± 1.08 D
Volume 466.05 Å 3
Surface Area 361.79 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
InChIKey YYECLWNQKGUXCS-RRKCRQDMSA-O
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