[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-4-Hydroxy-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C10H15N5O11P2
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 443.200 g·mol−1
Heat of Formation -2354.7 ± 16.7 kJ·mol−1
Dipole Moment 7.31 ± 1.08 D
Volume 420.48 Å 3
Surface Area 373.51 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey UGXYPEAWXMNAPL-UUOKFMHZSA-P
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