(1R)-2-[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]-1-[(3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Ethyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C19H24N7O12P |
IUPAC Name | [(1r)-2-[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1-[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl] dihydrogen phosphate |
Molecular Mass | 573.407 g·mol−1 |
Heat of Formation | -2182.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.17 ± 1.08 D |
Volume | 585.34 Å 3 |
Surface Area | 467.25 Å 2 |
HOMO Energy | -9.34 ± 0.55 eV |
LUMO Energy | -0.84 ± eV |
Point Group Symmetry | C1 |
InChIKey | SQTOMJAYGJFXQA-GRMSTWJFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |