(2R,3R,4S,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-5-[[(4S,6R)-4,6-Dihydroxy-2,4,6-Trioxo-1,3,5,2Λ5,4Λ5,6Λ5-Trioxatriphosphinan-2-Yl]Oxymethyl]Tetrahydrofuran-3,4-Diol

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Formula C10H14N5O12P3
IUPAC Name (2r,3r,4s,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-[[(4s,6r)-4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl]oxymethyl]tetrahydrofuran-3,4-diol
Molecular Mass 489.166 g·mol−1
Heat of Formation -2732.3 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 442.55 Å 3
Surface Area 340.14 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey JEFRABWOXJOOJH-KQYNXXCUSA-O
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