5'-O-[Hydroxy(4-Nitrophenoxy)Phosphorothioyl]Adenosine

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Properties Simple | Detailed

Formula C16H18N6O8PS
IUPAC Name (s)-[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-(4-nitrophenoxy)-sulfido-phosphonium
Molecular Mass 485.388 g·mol−1
Heat of Formation -1042.4 ± 16.7 kJ·mol−1
Dipole Moment 7.50 ± 1.08 D
Volume 494.47 Å 3
Surface Area 382.92 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
InChIKey PGDFJXBITWBGSR-QBCQWNFYSA-N
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