5'-O-{[({[(2-{3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl}Ethoxy)Phosphinato]Oxy}Phosphinato)Oxy]Phosphinato}Adenosine

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Formula C22H32N9O13P3S
IUPAC Name [3-[2-[3-[(4-amino-2-methyl-pyrimidine-1,3-diium-5-id-5-yl)methyl]-4-methyl-2h-thiazol-2-id-5-yl]ethoxy-oxido-phosphoryl]oxydioxaphosphiran-3-ium-3-yl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 755.528 g·mol−1
Heat of Formation -2294.4 ± 16.7 kJ·mol−1
Dipole Moment 18.57 ± 1.08 D
Volume 756.32 Å 3
Surface Area 580.33 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -2.82 ± eV
Point Group Symmetry C1
InChIKey FGOYXNBJKMNPDH-NMZZKHSVSA-L
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