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

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Formula C20H29N9O7S2
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfamoyl]pentanamide
Molecular Mass 571.630 g·mol−1
Heat of Formation -1034.3 ± 16.7 kJ·mol−1
Dipole Moment 9.55 ± 1.08 D
Volume 615.82 Å 3
Surface Area 476.63 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey QGQPWWFEMLFUQM-RHCAYAJFSA-O
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