[(2S,3R,4R,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-2,3-Di(Butanoyl)-4-Hydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Butanoate

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Formula C22H32N5O10P
IUPAC Name [(2s,3r,4r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-2,3-di(butanoyl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] butanoate
Molecular Mass 557.491 g·mol−1
Heat of Formation -1990.5 ± 16.7 kJ·mol−1
Dipole Moment 10.02 ± 1.08 D
Volume 615.0 Å 3
Surface Area 465.69 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
InChIKey OTPJNKMFMACZOA-YWWHGZKBSA-O
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