5'-{[2-({N-[(2-Amino-7,7-Dimethyl-4-Oxo-1,4,7,8-Tetrahydro-6-Pteridinyl)Carbonyl]Glycyl}Amino)Ethyl]Sulfonyl}-5'-Deoxyadenosine

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Formula C23H31N12O8S
IUPAC Name 2-amino-n-[2-[2-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfonyl]ethylamino]-2-oxo-ethyl]-7,7-dimethyl-4-oxo-1,8-dihydropteridine-3,5-diium-8a-ide-6-carboxamide
Molecular Mass 635.633 g·mol−1
Heat of Formation -1025.7 ± 16.7 kJ·mol−1
Dipole Moment 9.99 ± 1.08 D
Volume 681.11 Å 3
Surface Area 477.94 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
InChIKey QCWCABDSXQYDST-GWKRVTOESA-N
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