(2R,5S)-2-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-5-[(Phosphonooxy)Methyl]-2,5-Dihydro-3-Furanyl 4-Benzoylbenzoate

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Properties Simple | Detailed

Formula C24H21N5O9P
IUPAC Name [(2r,5s)-2-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-5-(phosphonooxymethyl)-2,5-dihydrofuran-3-yl] 4-benzoylbenzoate
Molecular Mass 554.425 g·mol−1
Heat of Formation -1253.3 ± 16.7 kJ·mol−1
Dipole Moment 6.73 ± 1.08 D
Volume 588.81 Å 3
Surface Area 451.8 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey XOZMFXGWTIFWGN-ZHRRBRCNSA-N
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