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]Purin-9-Ium-8-Yl]Amino]Butyl]Pentanamide

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Properties Simple | Detailed

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]purin-9-ium-8-yl]amino]butyl]pentanamide
Molecular Mass 606.741 g·mol−1
Heat of Formation -767.9 ± 16.7 kJ·mol−1
Dipole Moment 9.27 ± 1.08 D
Volume 719.42 Å 3
Surface Area 540.11 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
InChIKey GZOCMSGHLSHCGU-DGWADGOTSA-N
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