5'-O-[Hydroxy(Phosphonooxy)Phosphorothioyl]Adenosine

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Properties Simple | Detailed

Formula C10H16N5O9P2S
IUPAC Name (s)-[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphonooxy-sulfido-phosphonium
Molecular Mass 444.275 g·mol−1
Heat of Formation -1967.8 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 435.31 Å 3
Surface Area 370.65 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
InChIKey LPUNOWSWFBIBQH-PAHOEEHLSA-N
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