[(2R,3R,4S,5S)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-[[Oxido-[Oxido-[[(2R,3S,4R,5R)-3,4,5-Trihydroxytetrahydrofuran-2-Yl]Methoxy]Phosphoryl]Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C15H24N5O17P3
IUPAC Name [[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (3,4,5-trihydroxytetrahydrofuran-2-yl)methyl hydrogen phosphate
Molecular Mass 639.296 g·mol−1
Heat of Formation -2247.5 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 569.57 Å 3
Surface Area 455.56 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 0.73 ± eV
Point Group Symmetry C1
InChIKey ICNHOLCERMYLRZ-ZQSHOCFMSA-N
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