(2R,3S,4R,5R)-2-[[(1R,3S)-13-[(4-Amino-2-Methyl-Pyrimidine-1,3-Diium-5-Id-5-Yl)Methyl]-12-Methyl-5,7-Dioxido-3,5,7-Trioxo-Blahbicyclo[9.3.0]Tetradec-11-En-3-Yl]Oxymethyl]-5-(6-Aminopurine-1,3,7-Triium-9-Yl)Tetrahydrofuran-3,4-Diol

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Formula C22H32N9O13P3S
IUPAC Name (2r,3s,4r,5r)-2-[[(1r,3s)-13-[(4-amino-2-methyl-pyrimidine-1,3-diium-5-id-5-yl)methyl]-12-methyl-5,7-dioxido-3,5,7-trioxo-blahbicyclo[9.3.0]tetradec-11-en-3-yl]oxymethyl]-5-(6-aminopurine-1,3,7-triium-9-yl)tetrahydrofuran-3,4-diol
Molecular Mass 755.528 g·mol−1
Heat of Formation -2493.4 ± 16.7 kJ·mol−1
Dipole Moment 7.83 ± 1.08 D
Volume 741.83 Å 3
Surface Area 524.14 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
InChIKey OTJAHAFKIQKNOA-FXKYGPOYSA-O
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