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

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Properties Simple | Detailed

Formula C22H29N7O5
IUPAC Name (z)-(2-amino-3-cyclohexa-2,5-dien-1-ylidene-prop-2-enoyl)-[(5r)-5-(7-methyl-6-methylidyneammonio-5,8-dihydro-2h-purin-9-yl)-4-oxo-2-(oxomethylene)tetrahydrofuran-3-ylidene]ammonium; formaldehyde
Molecular Mass 471.510 g·mol−1
Heat of Formation -534.0 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 559.47 Å 3
Surface Area 428.53 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
InChIKey RXWNCPJZOCPEPQ-DYIOZPFISA-N
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