2-Amino-N-{5-[6-(Dimethylamino)-9H-Purin-9-Yl]-4-Hydroxy-2-(Hydroxymethyl)Tetrahydro-3-Furanyl}-3-(4-Hydroxyphenyl)Propanamide
Properties
Property | Value |
---|---|
Formula | C21H27N7O5 |
IUPAC Name | (2s)-2-amino-n-[(2s,3s,4r,5r)-5-[6-(dimethylamino)purine-1,3,7-triium-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-hydroxyphenyl)propanamide |
Molecular Mass | 457.483 g·mol−1 |
Heat of Formation | -536.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.53 ± 1.08 D |
Volume | 522.81 Å 3 |
Surface Area | 452.86 Å 2 |
HOMO Energy | -8.45 ± 0.55 eV |
LUMO Energy | -0.26 ± eV |
Point Group Symmetry | C1 |
InChIKey | NVZJDPXVSWFFJJ-FMBVFVGGSA-O |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |