2,2-Dimethylpropyl (2S)-2-{[(R)-{[(2R,3R,4R,5R)-5-(2-Amino-6-Methoxy-9H-Purin-9-Yl)-3,4-Dihydroxy-4-Methyltetrahydro-2-Furanyl]Methoxy}(1-Naphthyloxy)Phosphoryl]Amino}Propanoate
Properties
Property | Value |
---|---|
Formula | C30H39N6O9P |
IUPAC Name | 2,2-dimethylpropyl (2s)-2-[[[(2r,3r,4r,5r)-5-(2-amino-6-methoxy-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-(1-naphthyloxy)phosphoryl]amino]propanoate |
Molecular Mass | 658.639 g·mol−1 |
Heat of Formation | -1556.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.37 ± 1.08 D |
Volume | 763.73 Å 3 |
Surface Area | 546.13 Å 2 |
HOMO Energy | -8.42 ± 0.55 eV |
LUMO Energy | -0.62 ± eV |
Point Group Symmetry | C1 |
InChIKey | YFXGICNMLCGLHJ-MWPHEXKPSA-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 |