N-[(1R,2R,3R,5S)-3-[6-(Dimethylamino)-9H-Purin-9-Yl]-2-Hydroxy-5-(Hydroxymethyl)Cyclopentyl]-O-Methyltyrosinamide

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Formula C23H31N7O4
IUPAC Name (2s)-2-amino-n-[(1s,2s,3s,5r)-3-[6-(dimethylamino)purin-9-yl]-2-hydroxy-5-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide
Molecular Mass 469.537 g·mol−1
Heat of Formation -407.9 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 558.73 Å 3
Surface Area 477.74 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
InChIKey KABZPFHZISKOAR-ATCHWDNASA-N
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