N-{5-[6-(Dimethylamino)-9H-Purin-9-Yl]-4-Hydroxy-2-(Hydroxymethyl)Tetrahydro-3-Furanyl}-2-[(Iodoacetyl)Amino]-3-(4-Methoxyphenyl)Propanamide

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Properties Simple | Detailed

Formula C24H30IN7O6
IUPAC Name (2s)-n-[(2s,3r,4r,5r)-5-[6-(dimethylamino)purine-1,3,7-triium-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-2-[(2-iodoacetyl)amino]-3-(4-methoxyphenyl)propanamide
Molecular Mass 639.443 g·mol−1
Heat of Formation -722.7 ± 16.7 kJ·mol−1
Dipole Moment 7.67 ± 1.08 D
Volume 639.76 Å 3
Surface Area 443.18 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
InChIKey HALMIAONJHEBLZ-NISSAYFKSA-N
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