3'-O-[5-(Dimethylamino)-1-Naphthoyl]Adenosine 5'-(Dihydrogen Phosphate)

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Formula C23H25N6O8P
IUPAC Name [(2r,3s,4r,5r)-3-[5-[di(methyl)amino]-4,6,7,8-tetrahydro-3h-naphthalene-3,4,6,7,8-pentaide-1-carbonyl]oxy-4-hydroxy-5-(6-λ1-azanylpurine-1,3,7-triium-9-yl)tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 544.454 g·mol−1
Heat of Formation -1278.0 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 584.64 Å 3
Surface Area 489.02 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey YWUFOJPOISPUJP-WGQQHEPDSA-N
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