(2R,4S,5R,6R)-5-Acetamido-2-{[{[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydro-2H-Pyran-2-Carboxylic Acid

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Formula C20H36N4O16P
IUPAC Name [(2s,3r,4r,5s)-5-[(3z)-3-amino-3-(hydroxymethylimino)propylidene]ammonio-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(4r,5r,6s)-4-hydroxy-5-[(e)-1-hydroxyethylideneamino]-6-[(1s,2s)-1,2,3-trihydroxypropyl]tetrahydropyran-2-id-2-yl] phosphate; carbon dioxide
Molecular Mass 619.491 g·mol−1
Heat of Formation -3026.2 ± 16.7 kJ·mol−1
Dipole Moment 10.87 ± 1.08 D
Volume 648.92 Å 3
Surface Area 479.29 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
InChIKey TXCIAUNLDRJGJZ-ZFADFPODSA-N
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