[[(2R,3S,4R,5R)-5-[6-[(2-Fluorobenzoyl)Amino]Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C17H19FN5O14P3 |
IUPAC Name | [[(2r,3s,4r,5r)-5-[6-[(2-fluorobenzoyl)amino]purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
Molecular Mass | 629.278 g·mol−1 |
Heat of Formation | -3246.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.14 ± 1.08 D |
Volume | 599.66 Å 3 |
Surface Area | 476.02 Å 2 |
HOMO Energy | -9.39 ± 0.55 eV |
LUMO Energy | -1.23 ± eV |
Point Group Symmetry | C1 |
InChIKey | DBRISQMWPLOOTR-CNEMSGBDSA-O |
QR Code | Generate QR Code |
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Elements | C F H O N P |