5-[(3As,4S,6Ar)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-4-Yl]Pentyl [(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C20H32N7O8PS |
IUPAC Name | 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentyl [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
Molecular Mass | 561.549 g·mol−1 |
Heat of Formation | -1501.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.75 ± 1.08 D |
Volume | 604.01 Å 3 |
Surface Area | 517.24 Å 2 |
HOMO Energy | -8.99 ± 0.55 eV |
LUMO Energy | -0.74 ± eV |
Point Group Symmetry | C1 |
InChIKey | OZFOMOLUGCRUBS-SQGSUPJISA-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 |