[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C10H17N5O16P4 |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
Molecular Mass | 587.161 g·mol−1 |
Heat of Formation | -3922.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.24 ± 1.08 D |
Volume | 525.89 Å 3 |
Surface Area | 402.76 Å 2 |
HOMO Energy | -8.92 ± 0.55 eV |
LUMO Energy | -1.33 ± eV |
Point Group Symmetry | C1 |
InChIKey | UWUUHNBNCQPDTP-KQYNXXCUSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |