26-Amino-1-[5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-3,5,9-Trihydroxy-8,8,19-Trimethyl-10,14,20-Trioxo-2,4,6-Trioxa-18-Thia-11,15,21-Triaza-3,5-Diphosphaheptacosan-27-Oic Acid 3,5-Dioxide

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Formula C30H52N9O19P3S
IUPAC Name (2r)-2-amino-6-[[(2r)-2-[2-[3-[[(2r)-4-[[[(2s,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoyl]amino]hexanoic acid
Molecular Mass 967.769 g·mol−1
Heat of Formation -4226.5 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 1055.39 Å 3
Surface Area 858.12 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
InChIKey RFJAZFUCRKBHCW-NFOKXICTSA-N
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