[[(2R,3S,4R,5R)-5-(6-Amino-2H-Purin-9-Ium-2-Ylium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4S)-5-[(21R,26S,36S,43R)-16,17-Dimethyl-27,31,32-Trioxo-21-Phenyl-38,39,43,44-Tetrazatetracyclo[Blah.Blah.Blah.Blah.Blah]Heptadeca-8(19),9(20),16-Trien-43-Yl]-2,3,4-Trihydroxy-Pentyl] Hydrogen Phosphate

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Formula C36H43N9O16P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-2h-purin-9-ium-2-ylium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s)-5-[(21r,26s,36s,43r)-16,17-dimethyl-27,31,32-trioxo-21-phenyl-38,39,43,44-tetrazatetracyclo[blah.blah.blah.blah.blah]heptadeca-8(19),9(20),16-trien-43-yl]-2,3,4-trihydroxy-pentyl] hydrogen phosphate
Molecular Mass 919.725 g·mol−1
Heat of Formation -2979.0 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 1057.12 Å 3
Surface Area 756.66 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
InChIKey QWOOVYWBGZGGNV-ITRBMUPBSA-N
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