N-[(1R,2R,3R,5S)-3-[6-(Dimethylamino)-9H-Purin-9-Yl]-2-Hydroxy-5-(Hydroxymethyl)Cyclopentyl]-O-Methyltyrosinamide
Properties
Property | Value |
---|---|
Formula | C23H31N7O4 |
IUPAC Name | (2s)-2-amino-n-[(1s,2s,3s,5r)-3-[6-(dimethylamino)purin-9-yl]-2-hydroxy-5-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide |
Molecular Mass | 469.537 g·mol−1 |
Heat of Formation | -407.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.06 ± 1.08 D |
Volume | 558.73 Å 3 |
Surface Area | 477.74 Å 2 |
HOMO Energy | -8.46 ± 0.55 eV |
LUMO Energy | -0.24 ± eV |
Point Group Symmetry | C1 |
InChIKey | KABZPFHZISKOAR-ATCHWDNASA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |