[[5-(6-Aminopurin-9-Yl)-3-Hydroxy-4-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [5-(3-Carbamoyl-3,6-Dihydro-2H-Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H12N7O17P3
IUPAC Name (e)-[5-cyano-3-[[2-oxo-3-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-1-(oxomethylene)propoxy]methyl]-2h-imidazol-4-ylidene]cyanamide; (2r)-9-ethynyl-2-hydroperoxy-6h-[1,4]dioxino[2,3-f][1,3,5,2,4]trioxadiphosphocin-4-ium 2,4-dioxide; 3-isocyanatoprop-2-ynenitrile
Molecular Mass 727.278 g·mol−1
Heat of Formation -321.2 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 687.89 Å 3
Surface Area 583.66 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -2.87 ± eV
Point Group Symmetry C1
InChIKey MGWIKFWDIJJFDG-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C O N