[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]Methyl (3R)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-{[3-Oxo-3-(Propylamino)Propyl]Amino}Butyl Dihydrogen Diphosphate (Non -Preferred Name)
Properties
Property | Value |
---|---|
Formula | C22H38N7O16P3 |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butyl] hydrogen phosphate |
Molecular Mass | 749.496 g·mol−1 |
Heat of Formation | -3740.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.61 ± 1.08 D |
Volume | 790.45 Å 3 |
Surface Area | 606.13 Å 2 |
HOMO Energy | -9.55 ± 0.55 eV |
LUMO Energy | -1.63 ± eV |
Point Group Symmetry | C1 |
InChIKey | JJSFSVFKDOGQNC-GORZOVPNSA-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 |