5'-O-[(S)-({(2R)-2-Amino-6-[(2E)-2-Butenoylamino]Hexanoyl}Oxy)(Hydroxy)Phosphoryl]Adenosine
Properties
Property | Value |
---|---|
Formula | C20H30N7O9P |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2r)-2-amino-6-[[(e)-but-2-enoyl]amino]hexanoate |
Molecular Mass | 543.467 g·mol−1 |
Heat of Formation | -1707.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.68 ± 1.08 D |
Volume | 601.48 Å 3 |
Surface Area | 515.27 Å 2 |
HOMO Energy | -9.22 ± 0.55 eV |
LUMO Energy | -0.68 ± eV |
Point Group Symmetry | C1 |
InChIKey | ILVVVZQSKVIFML-XNGPLBMESA-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 |