[[(2R,3S,4R,5R)-5-(6-Amino-2H-Purin-9-Ium-2-Ylium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4S)-5-[(21R,26S,36S,43R)-16,17-Dimethyl-27,31,32-Trioxo-21-Phenyl-38,39,43,44-Tetrazatetracyclo[Blah.Blah.Blah.Blah.Blah]Heptadeca-8(19),9(20),16-Trien-43-Yl]-2,3,4-Trihydroxy-Pentyl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C36H43N9O16P2 |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-amino-2h-purin-9-ium-2-ylium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s)-5-[(21r,26s,36s,43r)-16,17-dimethyl-27,31,32-trioxo-21-phenyl-38,39,43,44-tetrazatetracyclo[blah.blah.blah.blah.blah]heptadeca-8(19),9(20),16-trien-43-yl]-2,3,4-trihydroxy-pentyl] hydrogen phosphate |
Molecular Mass | 919.725 g·mol−1 |
Heat of Formation | -2979.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.17 ± 1.08 D |
Volume | 1057.12 Å 3 |
Surface Area | 756.66 Å 2 |
HOMO Energy | -8.78 ± 0.55 eV |
LUMO Energy | -1.49 ± eV |
Point Group Symmetry | C1 |
InChIKey | QWOOVYWBGZGGNV-ITRBMUPBSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |