8-[(E)-Benzylideneamino]-2'-Deoxyadenosine 3'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C17H19N6O6P
IUPAC Name [(2r,3s,5r)-5-[6-amino-8-[(e)-benzylideneamino]purin-9-ium-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 434.343 g·mol−1
Heat of Formation -968.3 ± 16.7 kJ·mol−1
Dipole Moment 6.26 ± 1.08 D
Volume 455.1 Å 3
Surface Area 395.89 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
InChIKey HDTLQFZHJBMVPP-HPNSUZEISA-N
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