[2-Acetamidoethoxy(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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Properties Simple | Detailed

Formula C14H22N6O12P2
IUPAC Name [2-acetamidoethoxy(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 528.305 g·mol−1
Heat of Formation -2594.6 ± 16.7 kJ·mol−1
Dipole Moment 9.85 ± 1.08 D
Volume 536.96 Å 3
Surface Area 426.34 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey MZWQYBUAODGEFQ-QYVSTXNMSA-P
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