(3As,4S,6Ar)-4-[5-[1-[4-(6-Aminopurine-1,3,7-Triium-9-Yl)Butyl]-Blahcyclopent-3-En-4-Yl]Pentyl]-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-2-One

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Formula C21H32N10OS
IUPAC Name (3as,4s,6ar)-4-[5-[1-[4-(6-aminopurine-1,3,7-triium-9-yl)butyl]-blahcyclopent-3-en-4-yl]pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
Molecular Mass 472.610 g·mol−1
Heat of Formation 247.0 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 559.87 Å 3
Surface Area 503.48 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
InChIKey QAGGHAZMSBZKOY-ULQDDVLXSA-O
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