Adenosine, 5'-O-[[[[[(3R,15S)-3,15-Dihydroxy-2,2,17,17-Tetramethyl-4,8,13-Trioxo-12-Thia-5,9-Diaza-17-Azoniaoctadec-1-Yl]Oxy]Hydroxyphosphinyl]Oxy]Hydroxyphosphinyl]-, 3'-(Dihydrogen Phosphate), Inner Salt, Ion(3-)

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Formula C28H50N8O18P3S+
IUPAC Name adenosine, 5'-o-[[[[[(3r,15s)-3,15-dihydroxy-2,2,17,17-tetramethyl-4,8,13-trioxo-12-thia-5,9-diaza-17-azoniaoctadec-1-yl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phosphate), inner salt, ion(3-)
Molecular Mass 911.726 g·mol−1
Heat of Formation -3848.2 ± 16.7 kJ·mol−1
Dipole Moment 57.21 ± 1.08 D
Volume 987.59 Å 3
Surface Area 754.81 Å 2
HOMO Energy -7.55 ± 0.55 eV
LUMO Energy -2.38 ± eV
Point Group Symmetry C1
InChIKey BBRISSLDTUHWKG-PVMHLSDZSA-P
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