[[(2S,3R,4S,5S)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C20H27N10O16P3 |
IUPAC Name | [[(2s,3r,4s,5s)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate |
Molecular Mass | 756.407 g·mol−1 |
Heat of Formation | -3324.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.37 ± 1.08 D |
Volume | 732.21 Å 3 |
Surface Area | 493.23 Å 2 |
HOMO Energy | -8.93 ± 0.55 eV |
LUMO Energy | -1.65 ± eV |
Point Group Symmetry | C1 |
InChIKey | LAPGGKNWEUDVBT-WGIMJHEJSA-P |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |