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

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Properties Simple | Detailed

Formula C21H28N6O11
IUPAC Name 7-{(3s)-2-hydroperoxy-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(beta-d-ribofuranosyl)-3,4-dihydro-9h-imidazo[1,2-a]purin-9-one
Molecular Mass 540.481 g·mol−1
Heat of Formation 794.5 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 594.2 Å 3
Surface Area 521.2 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -2.08 ± eV
Point Group Symmetry C1
InChIKey WCNMEQDMUYVWMJ-ADLSKWGTSA-N
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