[(2R,3S,5R)-3-Hydroxy-5-[6-[[(1S)-2-Hydroxy-1-Phenyl-Ethyl]Amino]Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C18H24N5O7P |
IUPAC Name | [(2r,3s,5r)-3-hydroxy-5-[6-[[(1s)-2-hydroxy-1-phenyl-ethyl]amino]purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 453.386 g·mol−1 |
Heat of Formation | -1196.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.05 ± 1.08 D |
Volume | 487.79 Å 3 |
Surface Area | 434.28 Å 2 |
HOMO Energy | -8.74 ± 0.55 eV |
LUMO Energy | -0.37 ± eV |
Point Group Symmetry | C1 |
InChIKey | PUJUJNGEVFRCND-LXTVHRRPSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |