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

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Formula C16H22N6O4S
IUPAC Name (6s)-6-amino-2-[[(3s,4r,5r)-3-(6-aminopurine-1,3,7-triium-9-yl)-4,5-dihydroxy-cyclopenten-1-yl]methyl]-blahcycloheptan-7-one
Molecular Mass 394.449 g·mol−1
Heat of Formation -349.9 ± 16.7 kJ·mol−1
Dipole Moment 8.12 ± 1.08 D
Volume 438.45 Å 3
Surface Area 374.84 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey YWQARNLXBDAPTK-YRRQLQLVSA-O
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