(2R,5S)-5-Amino-2-[[(2S,3R,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl]-2-Ethyl-Blahcyclohexan-6-One

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Formula C16H24N6O5S
IUPAC Name (2r,5s)-5-amino-2-[[(2s,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2-ethyl-blahcyclohexan-6-one
Molecular Mass 412.464 g·mol−1
Heat of Formation -633.3 ± 16.7 kJ·mol−1
Dipole Moment 6.54 ± 1.08 D
Volume 457.31 Å 3
Surface Area 367.63 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey ZFKLRXWXKVQZJN-IXCNWUDHSA-O
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