2-Amino-9-{6-[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-6-Deoxy-5-O-Phosphono-β-D-Allofuranosyl}-3,9-Dihydro-6H-Purin-6-One
Properties
Property | Value |
---|---|
Formula | C20H26N10O15P2 |
IUPAC Name | [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-[(2r)-2-[(2s,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-dihydroxyphosphoryloxy-ethyl]-4-hydroxy-tetrahydrofuran-3-yl] dihydrogen phosphate |
Molecular Mass | 708.426 g·mol−1 |
Heat of Formation | -551.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.41 ± 1.08 D |
Volume | 610.78 Å 3 |
Surface Area | 436.42 Å 2 |
HOMO Energy | -10.04 ± 0.55 eV |
LUMO Energy | -3.86 ± eV |
Point Group Symmetry | C1 |
InChIKey | GWPHQANIBIHXEA-YFTASTLLSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C O N |