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 C30H17N9O19P3S
IUPAC Name 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
Molecular Mass 932.491 g·mol−1
Heat of Formation -595.2 ± 16.7 kJ·mol−1
Dipole Moment 21.18 ± 1.08 D
Volume 827.08 Å 3
Surface Area 640.4 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -3.37 ± eV
Point Group Symmetry C1
InChIKey RFJAZFUCRKBHCW-OUIMONCRSA-N
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