3'-Deoxy-3'-[(Methionyl-O-Methyl-D-Tyrosyl)Amino]-N,N-Dimethyladenosine

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Formula C27H38N8O6S
IUPAC Name (2r)-2-amino-n-[(1r)-2-[[(2s,3s,4r,5r)-5-[6-(dimethylamino)purine-1,3,7-triium-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]amino]-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]-4-methylsulfanyl-butanamide
Molecular Mass 602.706 g·mol−1
Heat of Formation -739.1 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 703.5 Å 3
Surface Area 574.6 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey UYAHFTFMNYDBLZ-GSNXBGEYSA-N
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