[(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 C15H25N5O17P3
IUPAC Name [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5s)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
Molecular Mass 640.304 g·mol−1
Heat of Formation -3659.1 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 614.77 Å 3
Surface Area 485.62 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
InChIKey ICNHOLCERMYLRZ-ZQSHOCFMSA-N
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