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

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Properties Simple | Detailed

Formula C13H19N6O6P
IUPAC Name (2s,3s,4s,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-[[(2r)-2-oxo-1,3,2λ5-oxazaphosphinan-2-yl]oxymethyl]tetrahydrofuran-3,4-diol
Molecular Mass 386.300 g·mol−1
Heat of Formation -1043.9 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 405.56 Å 3
Surface Area 350.47 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey AQBZTBIGTXBJHP-LCKYEWHMSA-O
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