(9R)-2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-7-[(E)-(1-Hydroxy-2,3,5,6,7,8-Hexahydroquinoline-2,3,4A,5,6,7,8,8A-Octaid-4-Ylidene)Amino]-3,8-Dihydropurin-1-Ium-6-One

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Formula C19H30N7O6+
IUPAC Name (9r)-2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-[(e)-(1-hydroxy-2,3,5,6,7,8-hexahydroquinoline-2,3,4a,5,6,7,8,8a-octaid-4-ylidene)amino]-3,8-dihydropurin-1-ium-6-one
Molecular Mass 452.485 g·mol−1
Heat of Formation -386.1 ± 16.7 kJ·mol−1
Dipole Moment 8.97 ± 1.08 D
Volume 478.56 Å 3
Surface Area 395.23 Å 2
HOMO Energy -8.05 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
InChIKey GFALFLRIHZSWBP-NJNXJJMASA-P
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