9-[3-O-(2-Aminobenzoyl)-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-α-D-Ribofuranosyl]-9H-Purin-6-Amine
Properties
Property | Value |
---|---|
Formula | C17H21N6O14P3 |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-aminobenzoate |
Molecular Mass | 626.302 g·mol−1 |
Heat of Formation | -3114.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.48 ± 1.08 D |
Volume | 614.73 Å 3 |
Surface Area | 490.59 Å 2 |
HOMO Energy | -8.88 ± 0.55 eV |
LUMO Energy | -1.49 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZJPHORHRONZRCV-XNIJJKJLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |