[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-[[7-(Diethylamino)-2-Oxo-Chromene-3-Carbonyl]Amino]-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C24H30N7O12P2+
IUPAC Name [(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-[[7-(diethylamino)-2-oxo-chromene-3-carbonyl]amino]-4-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 670.482 g·mol−1
Heat of Formation -2397.9 ± 16.7 kJ·mol−1
Dipole Moment 11.02 ± 1.08 D
Volume 699.86 Å 3
Surface Area 572.96 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
InChIKey MJWFZMXFYCKCCH-ZLFGVDQTSA-P
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