7-{(3S)-4-Methoxy-3-[(Methoxycarbonyl)Amino]-4-Oxobutyl}-4,6-Dimethyl-3-(5-O-Phosphono-β-D-Ribofuranosyl)-3,4-Dihydro-9H-Imidazo[1,2-A]Purin-9-One

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Formula C21H31N6O12P
IUPAC Name methyl (2s)-4-[3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-4,6-dimethyl-9-oxo-imidazo[1,2-a]purine-1,5-diium-3a,7-diid-7-yl]-2-(methoxycarbonylamino)butanoate
Molecular Mass 590.478 g·mol−1
Heat of Formation -2163.8 ± 16.7 kJ·mol−1
Dipole Moment 8.80 ± 1.08 D
Volume 621.13 Å 3
Surface Area 514.34 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey WOMRPCAFQVCGCI-QHOAOGIMSA-N
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