2-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-[(1R)-1-Hydroxyethyl]Tetrahydrofuran-2-Yl]-3H-Purine-1,9-Diium-5-Id-6-One

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Formula C11H22N5O5+
IUPAC Name (2s,4r,5s,7s)-2-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(1r)-1-hydroxyethyl]tetrahydrofuran-2-yl]-2,3,4,5,8,9-hexahydro-1h-purin-3-ium-6-one
Molecular Mass 304.323 g·mol−1
Heat of Formation -670.0 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 319.1 Å 3
Surface Area 283.28 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
InChIKey ADBOGCSAYMTKTC-CSOFHMTESA-O
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