[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-[Difluoro-[Hydroxy(Phosphonooxy)Phosphoryl]Methyl]Phosphinic Acid
Properties
Property | Value |
---|---|
Formula | C11H18F2N5O11P3 |
IUPAC Name | [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-[difluoro-[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid |
Molecular Mass | 527.206 g·mol−1 |
Heat of Formation | -3006.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.57 ± 1.08 D |
Volume | 489.15 Å 3 |
Surface Area | 418.7 Å 2 |
HOMO Energy | -9.01 ± 0.55 eV |
LUMO Energy | -1.71 ± eV |
Point Group Symmetry | C1 |
InChIKey | RZHZCUDVABCYJL-RRKCRQDMSA-O |
QR Code | Generate QR Code |
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Elements | C F H O N P |