N-[(2R)-2-(3,5-Dimethoxyphenyl)-2-(2-Methylphenyl)Ethyl]Adenosine

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Properties Simple | Detailed

Formula C27H31N5O6
IUPAC Name (2r,3r,4s,5r)-2-[6-[[(2r)-2-(3,5-dimethoxyphenyl)-2-(o-tolyl)ethyl]amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 521.565 g·mol−1
Heat of Formation -656.0 ± 16.7 kJ·mol−1
Dipole Moment 1.59 ± 1.08 D
Volume 601.37 Å 3
Surface Area 495.64 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
InChIKey BUHVIAUBTBOHAG-JMFNPSSSSA-N
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