[(2R,3S,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-[[Hydroxy(Phosphonooxy)Phosphoryl]Methyl]Phosphinic Acid

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Properties Simple | Detailed

Formula C11H18N5O12P3
IUPAC Name [(2r,3s,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
Molecular Mass 505.208 g·mol−1
Heat of Formation -2738.4 ± 16.7 kJ·mol−1
Dipole Moment 7.26 ± 1.08 D
Volume 489.22 Å 3
Surface Area 423.87 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey YBVFKMOHVLPUTN-RRKCRQDMSA-P
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