[[(5Ar,8R,9Ar)-2-Amino-4-Oxo-6,7-Bis(Sulfanyl)-3,5,5A,8,9A,10-Hexahydropyrano[3,2-G]Pteridin-1-Ium-4A-Id-8-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C20H27N10O13P2S2
IUPAC Name [[(5ar,8r,9ar)-2-amino-4-oxo-6,7-bis(sulfanyl)-3,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-1-ium-4a-id-8-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 741.565 g·mol−1
Heat of Formation -2421.5 ± 16.7 kJ·mol−1
Dipole Moment 7.33 ± 1.08 D
Volume 737.48 Å 3
Surface Area 600.78 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
InChIKey QUSMFWWRGKSWOL-ILXWUORBSA-Q
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