9-[3,6-Anhydro-6-Carboxylato-5-Deoxy-6-(2-{[(2,2-Dimethylpropanoyl)Oxy]Methoxy}-1-Hydroxy-2-Oxoethyl)Hex-4-Enofuranosyl]-9H-Purin-6-Amine

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Formula C20H25N5O10
IUPAC Name (2r,3r,3ar,5s,6as)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-[(1r)-2-(2,2-dimethylpropanoyloxymethoxy)-1-hydroxy-2-oxo-ethyl]-3-hydroxy-2,3,3a,6-tetrahydrofuro[3,2-b]furan-6,6a-diide-5-carboxylic acid
Molecular Mass 495.440 g·mol−1
Heat of Formation -1399.5 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 530.4 Å 3
Surface Area 430.77 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey ZGMPXNIZYNPUMN-LUZCYJSKSA-N
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