[[(2R,3S,4R,5R)-5-[6-(6-Aminohexylamino)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C16H29N6O13P3 |
IUPAC Name | [[(2r,3s,4r,5r)-5-[6-(6-aminohexylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
Molecular Mass | 606.355 g·mol−1 |
Heat of Formation | -3132.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.75 ± 1.08 D |
Volume | 620.05 Å 3 |
Surface Area | 508.89 Å 2 |
HOMO Energy | -8.80 ± 0.55 eV |
LUMO Energy | -2.01 ± eV |
Point Group Symmetry | C1 |
InChIKey | PWIXWYJUBGCDBB-XNIJJKJLSA-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 |