[[(2R,3S,4R,5R)-5-(6-Amino-8-Azido-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C21H29N10O14P2 |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-amino-8-azido-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoyl-4h-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
Molecular Mass | 707.461 g·mol−1 |
Heat of Formation | -2451.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.52 ± 1.08 D |
Volume | 711.43 Å 3 |
Surface Area | 486.06 Å 2 |
HOMO Energy | -8.31 ± 0.55 eV |
LUMO Energy | -1.18 ± eV |
Point Group Symmetry | C1 |
InChIKey | DAUUAWDYOUVLJY-NAJQWHGHSA-O |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |