5-[(3As,4S,6Ar)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-4-Yl]-N-[4-[[6-Amino-9-[(2R,3R,4S,5R)-5-(Ethylaminomethyl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-8-Yl]Amino]Butyl]Pentanamide

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Formula C26H42N10O5S
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-[4-[[6-amino-9-[(2r,3r,4s,5r)-5-(ethylaminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]purine-1,3,7-triium-8-yl]amino]butyl]pentanamide
Molecular Mass 606.741 g·mol−1
Heat of Formation -780.7 ± 16.7 kJ·mol−1
Dipole Moment 11.77 ± 1.08 D
Volume 716.49 Å 3
Surface Area 531.95 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
InChIKey KXLXDZYTMBVQMB-DGWADGOTSA-O
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