5'-S-(3-{[(3R)-1,2,3,4-Tetrahydro-3-Isoquinolinylcarbonyl]Amino}Propyl)-5'-Thioadenosine

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Formula C23H29N7O4S
IUPAC Name (3r)-n-[3-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular Mass 499.586 g·mol−1
Heat of Formation -436.8 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 579.77 Å 3
Surface Area 413.13 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
InChIKey HMZSUDMWDJASBZ-AXKRAVOISA-N
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