[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(3S)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-[[3-Oxo-3-(2-Sulfanylethylamino)Propyl]Amino]Butyl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C21H38N7O16P3S |
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] [(3s)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate |
Molecular Mass | 769.550 g·mol−1 |
Heat of Formation | -3643.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.92 ± 1.08 D |
Volume | 796.18 Å 3 |
Surface Area | 648.2 Å 2 |
HOMO Energy | -9.02 ± 0.55 eV |
LUMO Energy | -1.36 ± eV |
Point Group Symmetry | C1 |
InChIKey | VNGNREZAIZKCGC-HDCXRZRFSA-O |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H O N P S |